ChromaDex Inc.

Click Here To EMAIL INQUIRY
Web: http://www.chromadex.com
E-Mail:
Address: 10005 Muirlands Blvd. Suite G - First Floor, Irvine, California 92618, USA
Phone: +1-(949)-419-0288 | Fax: +1-(949)-419-0294 | Map/Directions >>

Profile: ChromaDex Inc. is a supplier of botanical reference standards along with related phytochemical products and services. We provide products and services to food, pharmaceutical, personal care, and dietary supplement markets. We also deal with botanical drugs, fine chemicals, nutraceuticals, pharmaceutical production plant and equipment.

101 to 150 of 322 Products/Chemicals (Click for related suppliers) Page:

1 2 [3] 4 5 6 7

• Azaleatin

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxychromen-4-one | CAS Registry Number: 529-51-1
Synonyms: 5-O-Methylquercetin, Quercetin 5-methyl ether, CHEBI:621927, LMPK12112546, CID5281604, C10022, LS-185205, 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-4H-chromen-4-one

Molecular Formula:	C₁₆H₁₂O₇	Molecular Weight:	316.262280 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: RJBAXROZAXAEEM-UHFFFAOYSA-N

• Azulene

IUPAC Name: azulene | CAS Registry Number: 275-51-4
Synonyms: azulene, Azunamic, azulen, Cyclopentacycloheptene, Azotesin, Azulekeep, Bicyclo[5.3.0]decapentaene, Bicyclo(5.3.0)decapentaene, A97203_ALDRICH, 37879_RIEDEL, 37879_FLUKA, AZULENE, M.P. 99 C, CHEBI:31249, EINECS 205-993-6, CID9231, NSC 89248, C10H8, NSC89248, Bicyclo(5.3.0)-1,3,5,7,9-decapentaene, LS-23565

Molecular Formula:	C₁₀H₈	Molecular Weight:	128.170520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: CUFNKYGDVFVPHO-UHFFFAOYSA-N

• Baccatin III

Synonyms: Baccatin- III, B8154_SIGMA, CHEBI:32898, NSC 330753, ZINC04102268, LS-183707, C11900, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-, [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate

Molecular Formula:	C₃₁H₃₈O₁₁	Molecular Weight:	586.626820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	11

InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-N

• Baicalein

IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one | CAS Registry Number: 491-67-8
Synonyms: baicalein, 5,6,7-Trihydroxyflavone, Biacalein, Sho-saiko-to, nchembio.65-comp3, Spectrum_000427, Tocris-1761, SpecPlus_000758, Spectrum2_000466, Spectrum3_001608, Spectrum4_000537, Spectrum5_001418, Oprea1_765614, BSPBio_003215, KBioGR_001173, KBioSS_000907, DivK1c_006854, SPECTRUM1504002, SPBio_000572, NSC661431

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N

• Baicalin

IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | CAS Registry Number: 21967-41-9
Synonyms: Baicalein 7-O-glucuronide, Baicalein-7-D-glucuronide, 572667_ALDRICH, CHEBI:2981, STOCK1N-21299, TJN-151, AIDS001402, 7-D-Glucuronic acid-5,6-dihydroxyflavone, AIDS-001402, CID64982, LS-71490, C10025, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, 100647-26-5, 27462-75-5, 31564-28-0

Molecular Formula:	C₂₁H₁₈O₁₁	Molecular Weight:	446.361020 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• Bakuchiol

IUPAC Name: 4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol | CAS Registry Number: 10309-37-2
Synonyms: Backuchiol, Drupanol, (+)-Bakuchiol, C18H24O, CHEBI:529074, AIDS046581, AIDS-046581, NSC671195, ZINC01644304, CID5468522, LS-104607, 4-(3-Ethenyl-3,7-dimethyl-1,6-octadienyl)phenol, (S)-4-(3,7-dimethyl-3-vinylocta-1,6-dienyl)phenol, Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-, Phenol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadienyl]-

Molecular Formula:	C₁₈H₂₄O	Molecular Weight:	256.382560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LFYJSSARVMHQJB-QIXNEVBVSA-N

• Bathophenanthroline

IUPAC Name: 4,7-di(phenyl)-1,10-phenanthroline | CAS Registry Number: 1662-01-7
Synonyms: BPhen, 1,10-Bathophenanthroline, 4,7-Diphenyl-1,10-phenanthroline, Bathophenanthrolin [German], 1,10-Phenanthroline, 4,7-diphenyl-, 4,7-Diphenyl-o-phenanthroline, 133159_ALDRICH, 4,7-Diphenyl-1,10-diazaphenanthrene, NSC 637659, 11880_FLUKA, EINECS 216-767-1, NSC637659, AIDS016422, AIDS-016422, BRN 0261048, EINECS 269-684-8, SBB008862, ZINC01625284, NCI60_012508, LS-102954

Molecular Formula:	C₂₄H₁₆N₂	Molecular Weight:	332.397240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHDHJYNTEFLIHY-UHFFFAOYSA-N

• Batilol

IUPAC Name: 3-octadecoxypropane-1,2-diol | CAS Registry Number: 544-62-7
Synonyms: BATYL ALCOHOL, 1-O-Octadecylglycerol, Stearyl monoglyceride, DL-Batylalcohol, dl-Batyl alcohol, Batilol [INN], (+)-Batylalcohol, Batilolum [INN-Latin], Glycerol 1-octadecyl ether, Glyceryl-1-octadecyl ether, Glycerol monooctadecyl ether, C18:0 Glyceryl 1-ether, Spectrum_001658, Glycerol octadecyl ether, Spectrum2_001609, Spectrum3_000738, Spectrum4_001778, Spectrum5_000395, Glycerine 1-monostearyl ether, 1-O-Octadecyl-sn-glycerol

Molecular Formula:	C₂₁H₄₄O₃	Molecular Weight:	344.572260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: OGBUMNBNEWYMNJ-UHFFFAOYSA-N

• Benzaldehyde

IUPAC Name: benzaldehyde | CAS Registry Number: 100-52-7
Synonyms: benzaldehyde, Benzoic aldehyde, Benzenecarbonal, Phenylmethanal, Artificial almond oil, Benzenemethylal, Benzaldehyde FFC, Benzoyl hydride, benzanoaldehyde, Benzadehyde, Oil Of bitter almond, Benzenecarboxaldehyde, Benzene methylal, Benzene carboxaldehyde, Ben zoyl hydride, Benzene carbaldehyde, Benzaldehyde [USAN], Benzaldehyde (NF), Caswell No. 076, Benzaldehyde (natural)

Molecular Formula:	C₇H₆O	Molecular Weight:	106.121940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N

• Benzethonium chloride

IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride | CAS Registry Number: 121-54-0
Synonyms: benzethonium chloride, Hyamine, benzethonium, Quatrachlor, Phemeride, Phemithyn, Solamine, Disilyn, Kylacol, Solamin, Diapp, Phemerol Chloride, Polymine D, Antiseptol, Microklenz, Banagerm, Inactisol, Phemerol, Sanizol, Neostelin green

Molecular Formula:	C₂₇H₄₂ClNO₂	Molecular Weight:	448.080880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

• Benzoic acid

IUPAC Name: benzoic acid | CAS Registry Number: 65-85-0
Synonyms: benzoic acid, phenylformic acid, benzoate, Dracylic acid, benzenecarboxylic acid, Carboxybenzene, Benzeneformic acid, Retardex, Benzoesaeure GK, Benzoesaeure GV, Retarder BA, Tenn-Plas, Salvo liquid, Solvo powder, Acide benzoique, Unisept BZA, Benzenemethanoic acid, Phenylcarboxylic acid, Flowers of benzoin, Benzoesaeure

Molecular Formula:	C₇H₆O₂	Molecular Weight:	122.121340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N

• Benzyl acetate

IUPAC Name: phenylmethyl acetate | CAS Registry Number: 140-11-4
Synonyms: BENZYL ACETATE, Benzyl ethanoate, benzylacetate, Phenylmethyl acetate, Acetic acid, benzyl ester, Phenylmethyl ethanoate, alpha-Acetoxytoluene, Acetic acid, phenylmethyl ester, nchem.167-comp5, Caswell No. 081EA, Acetic acid benzyl ester, (Acetoxymethyl)benzene, Benzyl acetate (natural), .alpha.-Acetoxytoluene, ACETATO DE BENCILO, FEMA No. 2135, CCRIS 1423, NCI-C06508, WLN: 1VO1R, B15805_ALDRICH

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N

• Benzyl alcohol

IUPAC Name: phenylmethanol | CAS Registry Number: 100-51-6
Synonyms: benzyl alcohol, benzenemethanol, phenylmethanol, phenylcarbinol, Benzenecarbinol, alpha-Toluenol, Hydroxytoluene, Benzoyl alcohol, Benzal alcohol, alpha-hydroxytoluene, Phenylmethyl alcohol, Phenolcarbinol, Benzylicum, Alcool benzylique, Phenylcarbinolum, (Hydroxymethyl)benzene, benzylalcohol, hydroxymethylbenzene, Benzylalkohol, Methanol, phenyl-

Molecular Formula:	C₇H₈O	Molecular Weight:	108.137820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N

• Benzyl isothiocyanate

IUPAC Name: isothiocyanatomethylbenzene | CAS Registry Number: 622-78-6
Synonyms: benzyl isothiocyanate, Tromacaps, Tromalyt, Urogran, Benzylsenfoel, Benzyl mustard oil, Benzylisothiocyanate, Benzyl-isothiocyanate, PMITC cpd, Benzylsenfoel [German], Isothiocyanic acid, benzyl ester, Benzyl isothio cyanate, (Isothiocyanatomethyl)benzene, Benzene, (isothiocyanatomethyl)-, Spectrum_001820, SpecPlus_000684, Spectrum2_000852, Spectrum3_000793, Spectrum4_001059, Spectrum5_001837

Molecular Formula:	C₈H₇NS	Molecular Weight:	149.212880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: MDKCFLQDBWCQCV-UHFFFAOYSA-N

• Benzyl Thiocyanate

IUPAC Name: phenylmethyl thiocyanate | CAS Registry Number: 3012-37-1
Synonyms: Benzyl thiocyanate, Tropeolin, Benzylrhodonid, Solvat 14, Benzyl-thiocyanate, Benzyl rhodanide, alpha-Thiocyanatotoluene, BENZYLTHIOCYANATE, phenylmethyl thiocyanate, Thiocyanic acid, benzyl ester, Thiocyanic acid, phenylmethyl ester, Toluene, alpha-thiocyanato-, .alpha.-Thiocyanatotoluene, WLN: NCS1R, CCRIS 3085, Thiocyanic acid benzyl ester, Toluene, .alpha.-thiocyanato-, CPD-65, NSC 1729, 13929_FLUKA

Molecular Formula:	C₈H₇NS	Molecular Weight:	149.212880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ABNDFSOIUFLJAH-UHFFFAOYSA-N

• Berbamine dihydrochloride

Synonyms: Berbenine, 547190_ALDRICH, CHEMBL3142494, SCHEMBL15023712, BB_NC-1459, AKOS024282681, CCG-208294, ST057601, (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[2 2.6.2.2<3,6>.1<8,12>.1<14,18>.0<22,36>.0<27,31>]hexatriaconta-3,5,8(35),9,11,1 8(36),19,21,24(32),25,27(31),33-dodecaen-9

Molecular Formula:	C₃₇H₄₂Cl₂N₂O₆	Molecular Weight:	681.645180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: USRXDYNDPPUBSG-KKXMJGKMSA-N

• Berberine chloride

Synonyms: berberine chloride, Benzodioxide, Berberine HCl, Berberinium chloride, Prestwick_91, Berberine hydrochloride, Natural Yellow 18, Natural Yellow- 18, Berberine chloride form, Berberine chloride [JAN], Berberine chloride dihydrate, MLS002153890, B3251_SIGMA, SPECTRUM1500811, 14050_FLUKA, EINECS 211-195-9, NSC163088, NSC 163088, CID12456, NSC646666

Molecular Formula:	C₂₀H₁₈ClNO₄	Molecular Weight:	371.814220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: VKJGBAJNNALVAV-UHFFFAOYSA-M

• Berberine hydrogen sulphate

Synonyms: Berberine bisulfate, Berberine sulphate, Acid berberine sulfate, Berberine, bisulfate, Berberine sulfate (1:1), Berberine sulfate [JAN], Berberine hydrogen sulfate, BERBERINE SULFATE, Siarczanu berberyny [Polish], EINECS 211-196-4, NSC 150444, NSC150444, LS-43467, Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (1:1), 5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium sulfate, Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate, BERBINIUM, 7,8,13,13a-TETRADEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-, SULFATE, Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1), Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1) (9CI), Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)

Molecular Formula:	C₂₀H₁₉NO₈S	Molecular Weight:	433.431760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: JISRTQBQFQMSLG-UHFFFAOYSA-M

• Bergamottin

IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one | CAS Registry Number: 7380-40-7
Synonyms: Bergamotine, Bergamotin, Bergaptin, 5-Geranoxypsoralen, CCRIS 8085, 01338_FLUKA, MolPort-000-881-227, TNP00285, NSC710599, AKJ-214-13, CID5471349, NCGC00017345-01, NCGC00161832-01, 4-([(2E)-3,7-dimethyl-2,6-octadienyl]oxy)-7h-furo[3,2-g]chromen-7-one, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3,7-dimethyl-2,6-octadienyl)oxy)-, (E)-

Molecular Formula:	C₂₁H₂₂O₄	Molecular Weight:	338.396980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DBMJZOMNXBSRED-OQLLNIDSSA-N

• Bergapten

IUPAC Name: 4-methoxyfuro[3,2-g]chromen-7-one | CAS Registry Number: 484-20-8
Synonyms: 5-Methoxypsoralen, bergaptene, Heraclin, Majudin, Pentaderm, Psoraderm, BERGAPTAN, Isopimpinellin, Bergapten(e), O-Methylbergaptol, 5-Methoxy psoralen, Pentaderm (TN), 5-Methoxyfuranocoumarin, 5-Mop, Spectrum_000794, Spectrum2_000534, Spectrum3_000663, Spectrum4_001478, Spectrum5_000155, 5-Methoxy-6,7-furanocoumarin

Molecular Formula:	C₁₂H₈O₄	Molecular Weight:	216.189520 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BGEBZHIAGXMEMV-UHFFFAOYSA-N

• Bergenin

IUPAC Name: (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one | CAS Registry Number: 477-90-7
Synonyms: bergenin, Bergenin (JAN), Bergenin [JAN], MLS001213180, AIDS031337, BB_NC-1749, AIDS-031337, CID66065, NSC383465, NSC661749, ZINC04046820, 477-90-7 (ANYDROUS), SMR000542844, C09919, D01040, 3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano(3,2-c)(2)benzopyran-6(H)-one, 3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one, 4-Methoxy-2-(tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl)alpha-resorcylic acid gamma lactone, 5956-63-8, Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-

Molecular Formula:	C₁₄H₁₆O₉	Molecular Weight:	328.271440 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: YWJXCIXBAKGUKZ-HJJNZUOJSA-N

• beta-Asarone

IUPAC Name: 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene | CAS Registry Number: 5273-86-9
Synonyms: Asarone, cis-Asarone, 221074_ALDRICH, CHEBI:583297, MolPort-003-925-788, ZINC13424754, CID5281758, cis-1-Propenyl-2,4,5-trimethoxybenzene, cis-2,4,5-Trimethoxy-1-propenylbenzene, C10430

Molecular Formula:	C₁₂H₁₆O₃	Molecular Weight:	208.253640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N

• beta-Escin

IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | CAS Registry Number: 11072-93-8
Synonyms: beta-Aescusan, beta-Reparil, beta-Aescin, beta-Aescinu [Czech], AIDS166751, AIDS-166751, Beta-Escin, beta-Reparil, beta-Aescinu, LS-64705

Molecular Formula:	C₁₁₀H₁₇₂O₄₈	Molecular Weight:	2262.513880 [g/mol]
H-Bond Donor:	26	H-Bond Acceptor:	48

InChIKey: YFESOSRPNPYODN-LNXBMLMBSA-N

• Betaine

IUPAC Name: 2-(trimethylazaniumyl)acetate | CAS Registry Number: 107-43-7
Synonyms: betaine, glycine betaine, oxyneurine, lycine, Abromine, Glycylbetaine, Trimethylglycine, Trimethylglycocoll, Jortaine, acidin-pepsin, Glycocoll betaine, alpha-Earleine, Cystadane, Rubrine C, Aminocoat, Greenstim, Betafin, FinnStim, Loramine AMB 13, Betaine solution

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KWIUHFFTVRNATP-UHFFFAOYSA-N

• Betamethasone

IUPAC Name: (8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 378-44-9
Synonyms: betamethasone, Rinderon, Celestone, Betadexamethasone, Betafluorene, Betamamallet, Betamethazone, Flubenisolone, Betacorlan, Betacortril, Betapredol, Betasolon, Betnelan, Betsolan, Celestene, Hormezon, Methazon, Valisone, Visubeta, Bedifos

Molecular Formula:	C₂₂H₂₉FO₅	Molecular Weight:	392.461063 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: UREBDLICKHMUKA-DVTGEIKXSA-N

• Betulin

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol | CAS Registry Number: 473-98-3
Synonyms: Betulinol, Trochol, Betuline, Betulol, Messagenin, Triterpenoid, Betulinic alcohol, Betulin, 23, Ambap4788, Prestwick3_000990, BSPBio_001059, NSC 4644, B9757_SIGMA, Lup-20(29)-ene-3beta,28-diol, BPBio1_001165, MEGxp0_001726, ACon1_000091, EINECS 207-475-5, Lup-20(30)-ene-3beta,28-diol, NSC4644

Molecular Formula:	C₃₀H₅₀O₂	Molecular Weight:	442.716800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: FVWJYYTZTCVBKE-ROUWMTJPSA-N

• Betulin diacetate

IUPAC Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate | CAS Registry Number: 1721-69-3
Synonyms: Betulindiacetate, Betulin deriv., betulin 3,28-diacetate, 3,28-Di-O-acetylbetulin, MEGxp0_001895, ACon1_000228, CHEBI:335958, AIDS080364, AIDS-080364, NSC38876, CID236415, NCGC00180761-01, LS-88198, NCI60_003697, Lup-20(29)-ene-3.beta.,28-diol, diacetate, Lup-20(29)-ene-3,28-diol, diacetate, (3.beta.)-, Acetic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-acetoxymethyl-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl ester, Acetic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysen-3a-ylmethyl ester

Molecular Formula:	C₃₄H₅₄O₄	Molecular Weight:	526.790160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: MIROITGPMGDCGI-MQXQNARFSA-N

• Betulinic acid

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 472-15-1
Synonyms: betulinic acid, Mairin, Betulic acid, Prestwick_95, Betulinic Acid, 24, Prestwick0_000417, Prestwick1_000417, Prestwick2_000417, Prestwick3_000417, CCRIS 6748, BSPBio_000374, BSPBio_001587, MLS000728510, SPBio_002313, NSC677578, 855057_ALDRICH, BPBio1_000412, EINECS 207-448-8, AIDS005859, NSC 113090

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

• Bianthrone

IUPAC Name: 10-(10-oxoanthracen-9-ylidene)anthracen-9-one | CAS Registry Number: 434-85-5
Synonyms: Dehydrodianthrone, 10,10'-Bianthrone, NCIOpen2_009646, .DELTA.10,10'-Bianthrone, NSC627656, AIDS132872, AIDS-132872, CID67948, NSC89778, EINECS 207-106-8, NSC 89778, ZINC01575621, [9,9']Bianthracenylidene-10,10'-dione, ST5411978, TL8003060, B-2370, 9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-, [.DELTA.9,9'(10H,10'H)-Bianthracene]-10,10'-dione, (delta9,9'(10H,10'H)-Bianthracene)-10,10'-dione (8CI)

Molecular Formula:	C₂₈H₁₆O₂	Molecular Weight:	384.425440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MGRRGKWPEVFJSH-UHFFFAOYSA-N

• Bilobalide

Synonyms: Ambap2349, MLS000563448, AIDS029698, AIDS-029698, CID73581, NCGC00142501-01, NCGC00142501-02, SMR000232342, ST057155, LS-183112, 4H,5aH,9H-Furo(2,3-b)furo(3',2':2,3)cyclopenta(1,2-c)furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (5aR-(3aS*,5aalpha,8beta,8aS*,9alpha,10aalpha))-, 4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-,(3aS,5aR,8R,8aS,9R,10aS)-

Molecular Formula:	C₁₅H₁₈O₈	Molecular Weight:	326.298620 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: MOLPUWBMSBJXER-YDGSQGCISA-N

• Biochanin A

IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 491-80-5
Synonyms: biochanin A, Biochanin, 4'-Methylgenistein, olmelin, Biochanine A, Biochanin-A, Genistein 4-methyl ether, Biochanin A (BCA), Spectrum_000195, 5,7-Dihydroxy-4'-methoxyisoflavone, Spectrum2_000047, Spectrum3_001098, Spectrum4_001927, Spectrum5_001624, Genistein 4'-methyl ether, biochanin A, 14C-labeled, CCRIS 5449, Oprea1_038096, BSPBio_002776, KBioGR_002274

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-N

• Bixin

IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid | CAS Registry Number: 6983-79-5
Synonyms: EINECS 230-248-7, CID5281226, LS-2171, C08582, Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate

Molecular Formula:	C₂₅H₃₀O₄	Molecular Weight:	394.503300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RAFGELQLHMBRHD-SLEZCNMESA-N

• Boldine

Synonyms: Uniboldina, Boldin, Boldine chloroform, (S)-Boldine, Aprophine alkaloid, Prestwick_46, Prestwick3_000600, BSPBio_000480, MLS002153899, BPBio1_000528, NSC65689, STOCK1N-49612, C19H23NO4, EINECS 207-509-9, NSC 65689, AIDS002648, AIDS-002648, CID10154, TNP00245, 1,10-Dimethoxy-2,9-dihydroxyaporphine

Molecular Formula:	C₁₉H₂₁NO₄	Molecular Weight:	327.374340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: LZJRNLRASBVRRX-ZDUSSCGKSA-N

• Brassidic Acid

IUPAC Name: (E)-docos-13-enoic acid | CAS Registry Number: 506-33-2
Synonyms: Brassidic acid, (E)-13-Docosenoic acid, 13-Docosenoic acid, trans-13-Docosenoic acid, ERUCIC ACID, 13-Docosenoic acid, (E)-, (E)-Docos-13-enoic acid, NSC59686, NSC6814, AKI-BBV-00028086, EINECS 208-035-5, LMFA01030090, NSC 59686, CID5282772, 13-Docosenoic acid, (E)- (8CI)(9CI), AI3-52725

Molecular Formula:	C₂₂H₄₂O₂	Molecular Weight:	338.567680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DPUOLQHDNGRHBS-MDZDMXLPSA-N

• Bromelain

IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 9001-00-7
Synonyms: MUXF, carbohydrate moiety of bromelain, M0XF(3), CHEBI:53469, Fuc-alpha-(1->3)-[Man-alpha-(1->6)-[Xyl-beta-(1->2)]-Man-beta-(1->4)-GlcNAc-beta-(1->4)]-GlcNAc, alpha-L-Fuc-(1->3)-[alpha-D-Man-(1->6)-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)]-D-GlcNAc, alpha-L-fucopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyranose, alpha-L-fucosyl-(1->3)-[alpha-D-mannosyl-(1->6)-[beta-D-xylosyl-(1->2)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)]-N-acetyl-D-glucosamine, BROMELAIN, Epitope ID:115005, N_FULL_22100100000000_GS_1023_c1, Man(a1-6)[Xyl(b1-2)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-3)]GlcNAc, alpha-L-Fucp-(1->3)-[alpha-D-Manp-(1->6)-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)]-D-GlcpNAc, WURCS=2.0/6,6,5/[a2122h-1x_1-5_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-5-6/a3-b1_a4-c1_c4-d1_d2-e1_d6-f1

Molecular Formula:	C₃₉H₆₆N₂O₂₉	Molecular Weight:	1026.942 [g/mol]
H-Bond Donor:	18	H-Bond Acceptor:	29

InChIKey: UNMLVGNWZDHBRA-UFAVQCRNSA-N

• Brucine And Salts

Synonyms: BRUCINE, Brucina, Brucin, Indole alkaloid, l-Brucine, Dimethoxy strychnine, (-)-Brucine, Ambap7420, 2,3-Dimethoxystrychnine, 10,11-Dimethoxystrychnine, nchembio.2007.55-comp3, MLS000515808, MLS001424166, 2,3-Dimethoxystrychnidin-10-one, 399027_ALDRICH, MEGxp0_001865, ACon1_001990, AIDS002665, BB_NC-0718, AIDS-002665

Molecular Formula:	C₂₃H₂₆N₂O₄	Molecular Weight:	394.463540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: RRKTZKIUPZVBMF-IBTVXLQLSA-N

• Bufalin

IUPAC Name: 5-[(3S,5R,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one | CAS Registry Number: 465-21-4
Synonyms: bufalin, NSC 89595, C24H34O4, CID10061, BRN 5141601, 3,14-Dihydroxy-bufa-20,22-dienolide, LS-45286, 3-beta,14-Dihydroxy-5-beta-bufa-20,22-dienolide, 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14-DIHYDROXY-, 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy-, 5beta-Bufa-20,22-dienolide, 3beta,14-dihydroxy- (8CI), Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)-, Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)-, Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)- (9CI), Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)- (9CI)

Molecular Formula:	C₂₄H₃₄O₄	Molecular Weight:	386.524360 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: QEEBRPGZBVVINN-ZXRSHIDQSA-N

• Bufotalin

IUPAC Name: [3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate | CAS Registry Number: 471-95-4
Synonyms: Bufotaline, NSC89596, CID259578, Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3.beta.,5.beta.,16.beta.)-, WLN: L E5 B666TJ A1 E1 GOV1 IQ OQ F- ET6OVJ, 5.beta.-Bufa-20,22-dienolide, 3.beta.,14,16.beta.-trihydroxy-, 16-acetate

Molecular Formula:	C₂₆H₃₆O₆	Molecular Weight:	444.560440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: VOZHMAYHYHEWBW-UHFFFAOYSA-N

• Buibocapnine hydrochloride

Synonyms: Berberine acetonic, Bulbocapnine hydrochloride, NSC 9980, EINECS 211-178-6, LS-21497, 10-Methoxy-1,2-(methylenedioxy)-6a-alpha-aporphin-11-ol hydrochloride, 6a-alpha-APORPHIN-11-OL, 10-METHOXY-1,2-(METHYLENEDIOXY)-, HYDROCHLORIDE, 6aalpha-Aporphin-11-ol, 10-methoxy-1,2-(methylenedioxy)-, hydrochloride, 6aalpha-Aporphin-11-ol, 10-methoxy-1,2-(methylenedioxy)-, hydrochloride (8CI), 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-, hydrochloride, (S)-, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-11-methoxy-7-methyl-, hydrochloride, (S)- (9CI)

Molecular Formula:	C₁₉H₂₀ClNO₄	Molecular Weight:	361.819400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: SRGIVPUDHITDMK-YDALLXLXSA-N

• Butyl isothiocyanate

IUPAC Name: 1-isothiocyanatobutane | CAS Registry Number: 592-82-5
Synonyms: Butyl mustard oil, 1-Isothiocyanatobutane, n-Butyl isothiocyanate, Butane, 1-isothiocyanato-, NBUTYL ISOTHIOCYANATE, ISOTHIOCYANIC ACID, BUTYL ESTER, 253790_ALDRICH, EINECS 209-770-4, NSC 194808, CID11613, NSC194808, ZINC01733350, AI3-18424, LS-86394, TL 00699

Molecular Formula:	C₅H₉NS	Molecular Weight:	115.196660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: LIMQQADUEULBSO-UHFFFAOYSA-N

• Butyraldehyde

IUPAC Name: butanal | CAS Registry Number: 123-72-8
Synonyms: butanal, butyraldehyde, n-butyraldehyde, Butanaldehyde, Butaldehyde, Butalyde, Butyral, Butal, 1-butanal, Butylaldehyde, Butyric aldehyde, Butyrylaldehyde, Butyraldehyd, n-Butylaldehyde, Butyl aldehyde, n-Butanal, Aldeide butirrica, n-Butyl aldehyde, Aldehyde butyrique, Butyraldehyde (crude)

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

• Butyric Acid

IUPAC Name: butanoic acid | CAS Registry Number: 107-92-6
Synonyms: butanoic acid, butyric acid, butyrate, ethylacetic acid, n-Butanoic acid, n-Butyric acid, propylformic acid, Butanic acid, butanoate, 1-Butyric acid, Buttersaeure, 2-butanoate, butoic acid, 1-propanecarboxylic acid, Acid, Butanoic, Acid, Butyric, 1ugp, butanoic acid, 4, Butyric acid (natural), Buttersaeure [German]

Molecular Formula:	C₄H₈O₂	Molecular Weight:	88.105120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N

• CAFESTOL

Synonyms: cafestol, Ambap1060, CCRIS 1518, CID108052, LS-185962, C09066, 5a,8-Methano-5aH-cyclohepta(5,6)naphtho(2,1-b)furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, (3bS,5aS,7R,8R,10aR,10bS)-, 5a,8-Methano-5aH-cyclohepta(5,6)naphtho(2,1-b)furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, (3bS-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-, (3bS,5aS,7R,8R,10aR,10bS)-7-(hydroxymethyl)-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-ol

Molecular Formula:	C₂₀H₂₈O₃	Molecular Weight:	316.434520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: DNJVYWXIDISQRD-HWUKTEKMSA-N

• Caffeic Acid

IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 331-39-5
Synonyms: caffeic acid, trans-Caffeate, 3,4-Dihydroxycinnamic acid, trans-caffeic acid, Caffeic acid polymer, Cinnamic acid, 3,4-dihydroxy-, 3,4-Dihydroxy-trans-cinnamate, CCRIS 847, 3,4-Dihydroxybenzeneacrylic acid, 3,4-Dihydroxy-cinnamic acid, HSDB 7088, MLS000069738, MLS001076493, C0625_SIGMA, SPECTRUM1503987, ARONIS023304, C9H8O4, NSC57197, 3-(3,4-Dihydroxyphenyl)propenoic acid, 60018_FLUKA

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-N

• Caffeic Acid Phenethyl Ester

IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 104594-70-9
Synonyms: Phenethyl caffeate, Capeee, Caffeic acid phenethyl ester, CAPE, CAPE compound, Phenylethyl caffeate, Lopac0_000269, BSPBio_001560, BSPBio_003586, MLS000859889, C8221_SIGMA, SPECTRUM1502209, AIDS028600, AIDS-028600, ZINC00001083, Caffeic Acid Phenethyl Ester, Synthetic, IDI1_034030, QTL1_000016, NCGC00093727-01, NCGC00093727-02

Molecular Formula:	C₁₇H₁₆O₄	Molecular Weight:	284.306540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SWUARLUWKZWEBQ-VQHVLOKHSA-N

• Caffeine

IUPAC Name: 1,3,7-trimethylpurine-2,6-dione | CAS Registry Number: 58-08-2
Synonyms: caffeine, Cafeina, Guaranine, Caffein, Koffein, Mateina, Methyltheobromine, Alert-pep, Thein, Cafipel, Theine, Caffedrine, Coffeine, Dexitac, Refresh'n, Stim, Methyltheobromide, Cafamil, Cafecon, Caffine

Molecular Formula:	C₈H₁₀N₄O₂	Molecular Weight:	194.190600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N

• Calcein

IUPAC Name: 2-[[7'-[[bis(carboxymethyl)amino]methyl]-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl-(carboxymethyl)amino]acetic acid | CAS Registry Number: 1461-15-0
Synonyms: calcein, Fluorexon, Oftasccine, Oftasceine, Fluorescein complexon, Oftasceine [INN], Oftasceinum [INN-Latin], Oftasceina [INN-Spanish], C0875_SIGMA, CHEBI:51903, CID65079, EINECS 215-957-1, NSC298193, SBB008848, NSC 298193, Fluorescein-bis(methyliminodiacetic acid), NCI60_002494, 2',7'-Bis((bis(carboxymethyl)amino)methyl)fluorescein, 2,7-Bis(N,N-bis(carboxymethyl)aminomethylene)fluorescein, C007740

Molecular Formula:	C₃₀H₂₆N₂O₁₃	Molecular Weight:	622.533040 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	15

InChIKey: DEGAKNSWVGKMLS-UHFFFAOYSA-N

• Calcitriol

IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 32222-06-3
Synonyms: calcitriol, Rocaltrol, Calcijex, Topitriol, Soltriol, Vectical, Asentar, Silkis, vit D, Rocaltrol (TN), Dihydroxyvitamin D3, 1,25-Dihydroxyvitamin D, Ambap3896, 1db1, 1alpha,25-Dihydroxyvitamin D3, Spectrum5_002061, Calcitriolum [INN-Latin], 1alpha,25(OH)2D3, 1,25-Dihydroxyvitamin D3, 1alpha,25(OH)2-D3

Molecular Formula:	C₂₇H₄₄O₃	Molecular Weight:	416.636460 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

• Calycanthine

Synonyms: Ambap7450, Prestwick3_000595, BSPBio_000470, MLS002153896, BPBio1_000518, CHEBI:3333, NSC99016, EINECS 209-857-7, NSC 99016, SMR001233245, AB00513866, C10573, (1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3(2,10).0(1,10).0(4,9).0(13,18)]tetracosa-4,6,8,13,15,17-hexaene, (4bS,5R,10bS,11R)-13,18-dimethyl-5,6,11,12-tetrahydro-5,10b:11,4b-di(epiminoethano)dibenzo[c,h]-2,6-naphthyridine

Molecular Formula:	C₂₂H₂₆N₄	Molecular Weight:	346.468640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XSYCDVWYEVUDKQ-GXRSIYKFSA-N

• Calycosin

IUPAC Name: 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one | CAS Registry Number: 20575-57-9
Synonyms: 3'-hydroxyformononetin, Ambap3821, MLS000876988, MEGxp0_001325, ACon1_000650, CHEBI:17793, CPD-9539, 3',7-dihydroxy-4'-methoxyisoflavone, 7,3'-dihydroxy-4'-methoxyisoflavone, CID5280448, NCGC00169494-01, SMR000440659, C01562, 20575-57-9 NIL |hartmut| 3316550128 NIL NIL, 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZZAJQOPSWWVMBI-UHFFFAOYSA-N