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Profile: ALL Chemistry Inc. is your reliable partner for contract research and advanced synthesis and analysis. We specialize in providing professional chemical products and custom solutions for pharmaceutical and biotechnological industries and research institutions on a global scale. Our extensive catalog of research chemicals covers chiral compounds, natural compounds, labeled products, small molecule inhibitors, flavor and fragrance products, and we offer custom synthesis, custom compound screening and library services upon customer requirements.

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• (20S)-Protopanaxadiol

IUPAC Name: (3S,8R,9S,10R,12R,13S,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol | CAS Registry Number: 30636-90-9
Synonyms: CID182009, CID 182009

Molecular Formula:	C₃₀H₅₂O₃	Molecular Weight:	460.732080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: SOFRKDBOODGBCL-LNTRKWQZSA-N

• (22S,23S)-Homobrassinolide

Synonyms: CID5488688, 1,3-Bis(1-methyl-2-pyrrolidinyl)acetone, compound with picric acid(1:2), 6H-Benz(c)indeno(5,4-e)oxepin-6-one, 1-((1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-

Molecular Formula:	C₂₉H₅₀O₆	Molecular Weight:	494.703700 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: YIWIWAWDXLBOKO-BLHVEKTDSA-N

• (9Z)-N-[(3-Methoxyphenyl)methyl]-9-octadecenamide

IUPAC Name: N-[(3-methoxyphenyl)methyl]octadec-9-enamide | CAS Registry Number: 883715-21-7

Molecular Formula:	C₂₆H₄₃NO₂	Molecular Weight:	401.635 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ZMKZIKHBSPDWEF-UHFFFAOYSA-N

• (E)-β-Farnesene

IUPAC Name: (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene | CAS Registry Number: 18794-84-8
Synonyms: Farnesene, BETA-FARNESENE, .beta.-Farnesene, trans-beta-Farnesene, (E)-beta-farnesene, beta-trans-farnesene, nchembio.2007.29-comp10, 73492_FLUKA, CHEBI:10418, CHEBI:39241, CPD-8239, EINECS 242-582-0, EINECS 278-628-1, CID5281517, 7,11-Dimethyl-3-methylenedodeca-1,6,10-triene, (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene, C09666, (E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene, 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-, 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene

Molecular Formula:	C₁₅H₂₄	Molecular Weight:	204.351060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N

• (R)-(+)-Atenolol

IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | CAS Registry Number: 56715-13-0
Synonyms: atenolol, (R)-Atenolol, ( )-Atenolol, (R)-( )-Atenolol, Prestwick0_000953, Prestwick1_000953, Prestwick2_000953, Prestwick3_000536, Lopac0_000146, BSPBio_000551, MLS001332497, MLS001332498, MLS002154070, SPBio_003095, 330884_ALDRICH, BPBio1_000607, CID180559, NCGC00093636-04, SMR000326747, AB00513974

Molecular Formula:	C₁₄H₂₂N₂O₃	Molecular Weight:	266.336080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: METKIMKYRPQLGS-GFCCVEGCSA-N

• (R)-(-)-Ibuprofen

IUPAC Name: (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid | CAS Registry Number: 51146-57-7
Synonyms: (-)-Ibuprofen, CHEBI:47835, (2R)-2-(4-isobutylphenyl)propanoic acid, (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, alphaR-Sethyl-4-(2-methylpropyl)benzeneacetic acid, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (R)-, (R)-Ibuprofen, R-(-)-p-Isobutylhydratropic acid, l-Ibuprofen, (R)-2-(4-Isobutylphenyl)propanoic acid, (-)-Ibuprophen, IZP, SureCN29057, AC1L3G3Q, AC1Q5QI4, CHEMBL427526, CTK4J3759, KST-1A5323, AR-1A2623, DNC005411

Molecular Formula:	C₁₃H₁₈O₂	Molecular Weight:	206.280820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HEFNNWSXXWATRW-SNVBAGLBSA-N

• (Z)-Guggulsterone

IUPAC Name: (8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione | CAS Registry Number: 39025-23-5
Synonyms: Guggulsterones Z, Guggulsterone, Z-Guggulsterone, E-Guggulsteron, Cis-Guggulsterone, G5168_SIGMA, CHEBI:539461, MolPort-003-941-496, ZINC19132424, CID6450278, NCGC00091910-01, (17Z)-pregna-4,17-diene-3,16-dione, 4,17(20)-cis-Pregnadiene-3,16-dione, (17Z)-Pregna-4,17(20)-diene-3,16-dione, Pregna-4,17(20)-diene-3,16-dione, (17E)-, (8R,9S,10R,13S,14S,Z)-17-ethylidene-10,13-dimethyl-1,7,8,10,11,12,13,14,15,17-decahydro-2H-cyclopenta[a]phenanthrene-3,16(6H,9H)-dione, 39025-24-6

Molecular Formula:	C₂₁H₂₈O₂	Molecular Weight:	312.445820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N

• [Leu5]Enkephalin

IUPAC Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 58822-25-6
Synonyms: Leu-enkephalin, leucine enkephalin, Leucine-enkephalin, [Leu5]-Enkephalin, Tyr-Gly-Gly-Phe-Leu, Spectrum_001429, ENKEPHALIN, LEUCINE, Spectrum2_001177, Spectrum3_001521, Spectrum4_001048, Spectrum5_000656, CCRIS 6338, BSPBio_002902, KBioGR_001316, KBioSS_001909, DivK1c_001010, SPBio_001193, EINECS 261-457-1, KBio1_001010, KBio2_001909

Molecular Formula:	C₂₈H₃₇N₅O₇	Molecular Weight:	555.622680 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	8

InChIKey: URLZCHNOLZSCCA-UHFFFAOYSA-N

• 1,18-Octadecanediol

IUPAC Name: octadecane-1,18-diol | CAS Registry Number: 3155-43-9
Synonyms: octadecane-1,18-diol, AC1LAUEO, CTK1C0972, MolPort-001-779-930, AKOS016009469, AG-F-05245, AK112318, KB-259091, W1880

Molecular Formula:	C₁₈H₃₈O₂	Molecular Weight:	286.493120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LUUFSCNUZAYHAT-UHFFFAOYSA-N

• 1,2-Dimethoxy-4-Ethylbenzene

IUPAC Name: 4-ethyl-1,2-dimethoxybenzene | CAS Registry Number: 5888-51-7
Synonyms: 4-Ethylveratrole, 3,4-Dimethoxyphenylethane, 4-Ethyl-1,2-dimethoxybenzene, 1,2-Dimethoxy-4-ethylbenzene, Benzene, 4-ethyl-1,2-dimethoxy-, Benzene, 1,2-dimethoxy-4-ethyl-, CID79990, LS-29874

Molecular Formula:	C₁₀H₁₄O₂	Molecular Weight:	166.216960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NEBQMYHKOREVAL-UHFFFAOYSA-N

• 1,4-Naphthoquinone

IUPAC Name: naphthalene-1,4-dione | CAS Registry Number: 130-15-4
Synonyms: 1,4-Naphthalenedione, 1,4-NAPHTHOQUINONE, p-Naphthoquinone, alpha-Naphthoquinone, NAPHTHOQUINONE, Succivil, 1,4-Naphthylquinone, nchembio791-comp5, .alpha.-Naphthoquinone, USAF CY-10, naphthalene-1,4-dione, RCRA waste no. U166, RCRA waste number U166, 1,4-Naftochinon [Czech], Spectrum2_000481, Spectrum3_000754, Spectrum4_001245, 1,4-naphtho-quinone, 3, 1,4-Dihydro-1,4-diketonaphthalene, CCRIS 5424

Molecular Formula:	C₁₀H₆O₂	Molecular Weight:	158.153440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FRASJONUBLZVQX-UHFFFAOYSA-N

• 1-Deoxynojirimycin

IUPAC Name: (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol | CAS Registry Number: 19130-96-2
Synonyms: 1-DEOXYNOJIRIMYCIN, 1oim, 1-Deoxymannojirimycin, 1-Deoxy-Nojirimycin, nchembio.81-comp10, 1-deoxynojirimycin (DNJ), Bay n 5595, BSPBio_000993, 1,5-Deoxy-1,5-imino-D-mannitol, C6H13NO4, 2j77, AIDS000139, Bio1_000415, Bio1_000904, Bio1_001393, AIDS-000139, 1,5-Dideoxy-1,5-imino-D-glucitol, SMP2_000333, NCGC00025085-02, NCGC00025085-03

Molecular Formula:	C₆H₁₃NO₄	Molecular Weight:	163.171720 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: LXBIFEVIBLOUGU-JGWLITMVSA-N

• 1-Hexanol

IUPAC Name: hexan-1-ol | CAS Registry Number: 111-27-3
Synonyms: Hexyl alcohol, n-Hexanol, HEXANOL, Pentylcarbinol, Amylcarbinol, Caproyl alcohol, 1-Hexyl alcohol, Hexan-1-ol, 1-Hydroxyhexane, n-Hexyl alcohol, Caproic alcohol, C6 alcohol, n-Hexan-1-ol, Alcohol(C6), Hexanol (VAN), Fatty alcohol(C6), Alcohol C-6, Caswell No. 482E, Hexyl alcohol (natural), FEMA Number 2567

Molecular Formula:	C₆H₁₄O	Molecular Weight:	102.174760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

• 1-Hydroxyadamantane

IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula:	C₁₀H₁₆O	Molecular Weight:	152.233440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N

• 1-Hydroxybaccatin I

Synonyms: NSC330755, CID433455

Molecular Formula:	C₃₂H₄₄O₁₄	Molecular Weight:	652.683360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	14

InChIKey: LUTPIRPNUNHFEV-UHFFFAOYSA-N

• 1-Naphthyl PP1 hydrochloride

IUPAC Name: 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride | CAS Registry Number: 956025-47-1
Synonyms: 1-Naphthyl PP1 (hydrochloride), 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride, SCHEMBL7037036, UKLRSYUALPIALU-UHFFFAOYSA-N, HY-13941B, AKOS025396393, CS-5384, AK174159, 1-tert-butyl-3-naphthalen-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine HCl, 1-tert-butyl-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride

Molecular Formula:	C₁₉H₂₀ClN₅	Molecular Weight:	353.848600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: UKLRSYUALPIALU-UHFFFAOYSA-N

• 10-Undecen-1-ol

IUPAC Name: undec-10-en-1-ol | CAS Registry Number: 112-43-6
Synonyms: Undecylenic alcohol, 10-Undecenol, Undecylenyl alcohol, Undecen-1-ol, 10-UNDECEN-1-OL, 1-Undecen-11-ol, 10-Undecylen-1-ol, 11-Hydroxy-1-undecene, omega-Undecenyl alcohol, .omega.-Undecenyl alcohol, Alcohol C-11, C-11 Alcohol, U2008_ALDRICH, WLN: Q10U1, EINECS 203-971-0, CID8185, NSC 66157, NSC66157, BRN 1753225, SBB009050

Molecular Formula:	C₁₁H₂₂O	Molecular Weight:	170.291780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GIEMHYCMBGELGY-UHFFFAOYSA-N

• 11Beta-hydroxyprogesterone

IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 600-57-7
Synonyms: 21-Deoxycorticosterone, 11beta-Hydroxyprogesterone, 11-beta-Hydroxyprogesterone, 11.beta.-Hydroxyprogesterone, CHEBI:28247, EINECS 209-995-8, NSC 15469, NSC15469, 11-beta-Hydroxypregn-4-ene-3,20-dione, 11beta-hydroxypregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 11-beta-hydroxy-, LS-118695, Pregn-4-ene-3,20-dione, 11beta-hydroxy-, (11beta)-11-hydroxypregn-4-ene-3,20-dione, Pregn-4-ene-3,20-dione, 11.beta.-hydroxy-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11-beta)-, Pregn-4-ene-3,20-dione, 11beta-hydroxy- (8CI), Pregn-4-ene-3,20-dione, 11-hydroxy-, (11beta)-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11.beta.)-, Pregn-4-ene-3,20-dione, 11-hydroxy-, (11beta)- (9CI)

Molecular Formula:	C₂₁H₃₀O₃	Molecular Weight:	330.461100 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BFZHCUBIASXHPK-ATWVFEABSA-N

• 2'-FUCOSYLLACTOSE

IUPAC Name: (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal | CAS Registry Number: 41263-94-9
Synonyms: 2'-Fucosyllactose, CID170484, D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-4)-

Molecular Formula:	C₁₈H₃₂O₁₅	Molecular Weight:	488.437680 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	15

InChIKey: HWHQUWQCBPAQQH-BWRPKUOHSA-N

• 2'-Hydroxy-3-Phenylpropiophenone

IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one | CAS Registry Number: 3516-95-8
Synonyms: 2'-Hydroxy-3-phenylpropiophenone, 102288_ALDRICH, o-Hydroxy-.beta.-phenyl propiophenone, o-Hydroxy-beta-phenyl propiophenone, EINECS 222-521-4, 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one, TL8002620, 42772-82-7

Molecular Formula:	C₁₅H₁₄O₂	Molecular Weight:	226.270460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N

• 2,3,5,6-Tetrafluorotetracyanoquinodimethane

IUPAC Name: 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile | CAS Registry Number: 29261-33-4
Synonyms: F4TCNQ, 376779_ALDRICH, ZINC00389845, CID2733307, 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane, 7,7,8,8-Tetracyano-2,3,5,6-tetrafluoroquinodimethane, (2,3,5,6-Tetrafluoro-2,5-cyclohexadiene-1,4-diylidene)dimalononitrile

Molecular Formula:	C₁₂F₄N₄	Molecular Weight:	276.148813 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: IXHWGNYCZPISET-UHFFFAOYSA-N

• 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine

IUPAC Name: 2,4,5-trichloro-7H-pyrrolo[2,3-d]pyrimidine | CAS Registry Number: 1053228-28-6
Synonyms: CTK4A3739, MolPort-009-199-022, ANW-45572, AKOS015850453, AG-L-20220, QC-3861, RP27407, AK-31644, AM802874, BR-31644, KB-225359, X8750

Molecular Formula:	C₆H₂Cl₃N₃	Molecular Weight:	222.459180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YUKWSCQSOXCSES-UHFFFAOYSA-N

• 2,6-DIMETHYLNAPHTHALENE 99%

IUPAC Name: 2,6-dimethylnaphthalene | CAS Registry Number: 581-42-0
Synonyms: 2,6-DIMETHYLNAPHTHALENE, Naphthalene, 2,6-dimethyl-, Ambsda500032275, BIDD:ER0559, 112410_ALDRICH, 126535_ALDRICH, 2,6-dimethylnaphthalene picrate, CHEBI:34251, 2,6-DMN, MolPort-001-793-644, 2,6-dimethylnaphthalene ion (1-), CID11387, NSC36852, EINECS 209-464-0, NSC 36852, Dimethylnaphthalene, mixture of isomers, C14330, AI3-01876, D0751, C028519

Molecular Formula:	C₁₂H₁₂	Molecular Weight:	156.223680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YGYNBBAUIYTWBF-UHFFFAOYSA-N

• 2,6-DIMETHYLOCTA-2,6-DIENE

IUPAC Name: 2,6-dimethylocta-2,6-diene | CAS Registry Number: 2792-39-4
Synonyms: NSC310168, 2,6-Dimethyl-2-cis-6-octadiene, 2,6-Dimethyl-2-trans-6-octadiene, CID137614, 2609-23-6

Molecular Formula:	C₁₀H₁₈	Molecular Weight:	138.249920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: MZPDTOMKQCMETI-UHFFFAOYSA-N

• 2-Hydroxy-1,8-cineole

IUPAC Name: (4S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-ol | CAS Registry Number: 60761-00-4

Molecular Formula:	C₁₀H₁₈O₂	Molecular Weight:	170.252 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YVCUGZBVCHODNB-KTOWXAHTSA-N

• 2-METHYL-3-THIOSEMICARBAZIDE 97%

IUPAC Name: 1-amino-1-methylthiourea | CAS Registry Number: 6938-68-7
Synonyms: 2-Methyl-3-thiosemicarbazide, 1-Methylhydrazinecarbothioamide, 264989_ALDRICH, NSC53998, MolPort-003-928-838, Semicarbazide, 2-methyl-3-thio-, Hydrazinecarbothioamide, 1-methyl-, EINECS 230-071-5, ZINC05688656, CID3034190, I09-1296

Molecular Formula:	C₂H₇N₃S	Molecular Weight:	105.162080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: IIGQLQZSWDUOBI-UHFFFAOYSA-N

• 2-Methylaminoethanol

IUPAC Name: 2-(methylamino)ethanol | CAS Registry Number: 109-83-1
Synonyms: N-Methylethanolamine, Methylethanolamine, Methylethylolamine, N-Methylaminoethanol, Monomethylaminoethanol, Monomethylethanolamine, Amietol M 11, Ethanol, 2-(methylamino)-, 2-(Methylamino)ethanol, Methylaminoethanol, Usaf do-50, N-Methylmonoethanolamine, N-Monomethylaminoethanol, N-Monomethylethanolamine, Monomethylmonoethanolamine, N-Methyl-2-aminoethanol, N-Methyl-2-ethanolamine, Caswell No. 489A, 2-(N-Methylamino)ethanol, 2-METHYLAMINOETHANOL

Molecular Formula:	C₃H₉NO	Molecular Weight:	75.109660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OPKOKAMJFNKNAS-UHFFFAOYSA-N

• 2-Tert-Amylanthraquinone 2-(1,1-Dimethylpropyl)anthraquinone

IUPAC Name: 2-(2-methylbutan-2-yl)anthracene-9,10-dione | CAS Registry Number: 32588-54-8
Synonyms: 2-tert-Amylanthraquinone, Anthraquinone, 2-tert-pentyl-, MLS000561775, EINECS 251-116-5, 2-(1,1-Dimethylpropyl)anthraquinone, 2-(1,1-Dimethyl-propyl)-anthraquinone, CID122909, ZINC04957471, BAS 00096248, LS-20328, SMR000173833, TL8000896, 9,10-Anthracenedione, 2-(1,1-dimethylpropyl)-, I14-1639, T0500-9424

Molecular Formula:	C₁₉H₁₈O₂	Molecular Weight:	278.345020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WUKWGUZTPMOXOW-UHFFFAOYSA-N

• 20(R)-Ginsenoside Rh2

IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(10R,12S,14R,17S)-12-hydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,14,17-pentamethyl-2,3,5,6,7,8,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 112246-15-8
Synonyms: CID181405, CID 181405

Molecular Formula:	C₃₆H₆₂O₈	Molecular Weight:	622.872680 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HPKGRCABTFZLLX-TUEAUHCASA-N

• 20(S)-Ginsenoside Rg3

IUPAC Name: (2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-4,6-bis(hydroxymethyl)oxan-2-yl]oxy-6-[[(10R,12S,13R,14R,17R)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol | CAS Registry Number: 14197-60-5
Synonyms: Ginsenoside Rg3, (20S)-Propanaxadiol, C42H72O13, LS-71507, C097367, beta-D-Glucopyranoside, (3-beta,12-beta)-12,20-dihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-, Dammar-24-ene-12-beta,20-diol, 3-beta-((2-O-beta-D-glucopyranosyl-beta-D-glucopyransoyl)oxy)-, 11019-45-7, 12770-19-3, 47891-53-2

Molecular Formula:	C₄₂H₇₂O₁₃	Molecular Weight:	785.013280 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	13

InChIKey: VXIVCXOKABMNOW-MLLGVTEASA-N

• 25-Hydroxycholesterol

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 2140-46-7
Synonyms: Cholest-5-ene-3beta,25-diol, 5-Cholestene-3beta,25-diol, (3beta)-cholest-5-en-3-ol, 25-Hydroxycholest-5-en-3-ol, CHEBI:42977, AIDS080407, AIDS-080407, CID65094, CPD-7285, LMST01010018, DB04705, (3BETA)-CHOLEST-5-ENE-3,25-DIOL, NCGC00181327-01, C15519, HC3, (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula:	C₂₇H₄₆O₂	Molecular Weight:	402.652940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: INBGSXNNRGWLJU-ZHHJOTBYSA-N

• 3,5-Bis(4-nitrophenoxy)benzoic acid

IUPAC Name: 3,5-bis(4-nitrophenoxy)benzoic acid | CAS Registry Number: 173550-33-9
Synonyms: gamma-Secretase Modulator, CW, 3,5-bis(4-Nitrophenoxy)benzoic acid, NCGC00167814-01, EN002659, B2120, BRD-K98143539-001-01-4, CW

Molecular Formula:	C₁₉H₁₂N₂O₈	Molecular Weight:	396.307180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: JOSXKPZXMVHRKU-UHFFFAOYSA-N

• 3,5-Diiodi-L-thyronine

IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid | CAS Registry Number: 1041-01-6
Synonyms: Diiodothyronine, 3,5-Diiodothyronine, Diiodo-L-thyronine, 3,5-Diiodo-L-thyronine, L-3,5-Diiodothyronine, 3,5-Diiodo-D-thyronine, 3,5-Diiodo-DL-thyronine, SGCUT00132, NSC90468, NSC90469, to_000037, Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-, 3,5-T2, L-Tyrosine, O-(4-hydroxyphenyl)-3,5-diiodo-, Alanine, (3,5-diiodo-4-(-p-hydroxyphenoxy)phenyl)-, Alanine, 3-[4-(p-hydroxyphenoxy)-3,5-diiodophenyl]-, L-, 534-51-0, 5563-89-3

Molecular Formula:	C₁₅H₁₃I₂NO₄	Molecular Weight:	525.076960 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: ZHSOTLOTTDYIIK-UHFFFAOYSA-N

• 3-(4-Bromophenyl)-Piperidine

IUPAC Name: 3-(4-bromophenyl)piperidine | CAS Registry Number: 769944-72-1
Synonyms: 3-(4-BROMOPHENYL)PIPERIDINE, Piperidine, 3-(4-bromophenyl)-, 3-(4-Bromo-phenyl)-piperidine, PubChem17291, SureCN998429, Piperidine,3-(4-bromophenyl)-, MolPort-008-765-842, ANW-75038, AKOS015835682, AB64015, AK-42002, KB-59725, A9759, FT-0083324, FT-0651373, Y6392, I14-13147

Molecular Formula:	C₁₁H₁₄BrN	Molecular Weight:	240.139560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: SZTZMTODFHPUHI-UHFFFAOYSA-N

• 3-Hydroxycatalponol

IUPAC Name: (2R,3R,4R)-3,4-dihydroxy-2-(3-methylbut-2-enyl)-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 265644-24-4
Synonyms: AC1LD62K, CHEMBL497277, MolPort-035-706-101, ZINC13459848, W1912, (2R,3R,4R)-3,4-dihydro-3,4-dihydroxy-2-(3-methyl-2-butenyl)-1(2H)-naphthalenone, (2r,3r,4r)-3,4-dihydroxy-2-(3-methyl-2-buten-1-yl)-3,4-dihydro-1( 2h)-naphthalenone, (2R,3R,4R)-3,4-dihydroxy-2-(3-methylbut-2-enyl)-3,4-dihydro-2H-naphthalen-1-one

Molecular Formula:	C₁₅H₁₈O₃	Molecular Weight:	246.306 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PURPSZILBYSJEM-NWANDNLSSA-N

• 3-Indolepropionic acid

IUPAC Name: 3-(1H-indol-3-yl)propanoic acid | CAS Registry Number: 830-96-6
Synonyms: Indole-3-propionic acid, Oxigon, IPA (auxin), Indolepropionic acid, beta-Indolylpropionate, 1H-Indole-3-propanoic acid, Indolylpropionic Acid, 3-(3-Indolyl)propanoic acid, 3-(3-Indolyl)propionic acid, 3-(3-Indole)propionic acid, .beta.-Indolylpropionate, Maybridge1_002431, 1H-Indole-3-proponoic acid, 3-(2-Carboxyethyl)-1H-indole, .beta.-Indolepropionic acid, CCRIS 4424, 3-(Indol-3-yl)propionic acid, beta-(3-Indolyl)propionic acid, Oprea1_071255, 1H-INDOLE-3-PROPIONIC ACID

Molecular Formula:	C₁₁H₁₁NO₂	Molecular Weight:	189.210540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N

• 3-Pyridylacetic acid hydrochloride

IUPAC Name: 2-pyridin-3-ylacetic acid | CAS Registry Number: 6419-36-9
Synonyms: coletin, lessterol, lioxone, minedil, piridil, toneon, Piristerol, 3-pyridineacetic acid, 3-pyridylacetic acid, 3-Pyridinylacetic acid, pyridine-3-acetic acid, pyridin-3-ylacetic acid, 2-(3-pyridyl)acetic acid, NCIStruc1_001832, NCIStruc2_000005, Oprea1_245722, NSC70769, NCI70769, EINECS 207-928-7, EINECS 229-148-6

Molecular Formula:	C₇H₇NO₂	Molecular Weight:	137.135980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: WGNUNYPERJMVRM-UHFFFAOYSA-N

• 4-Bromo Diphenyl

IUPAC Name: 1-bromo-4-phenylbenzene | CAS Registry Number: 92-66-0
Synonyms: 4-BROMOBIPHENYL, p-Bromobiphenyl, 4-Bromodiphenyl, p-Bromodiphenyl, Biphenyl, 4-bromo-, 4-Biphenyl bromide, p-Phenylbromobenzene, p-Biphenylyl bromide, 4-Bromo-biphenyl, 4-Biphenylyl bromide, 1,1'-Biphenyl, 4-bromo-, p-Phenylphenyl bromide, (4-Bromophenyl)benzene, 4-Bromo-1,1'-biphenyl, CCRIS 5890, MLS002152887, 281999_ALDRICH, 36919_RIEDEL, 16480_FLUKA, EINECS 202-176-6

Molecular Formula:	C₁₂H₉Br	Molecular Weight:	233.103860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N

• 4-Chloro-3-nitrobenzoic acid

IUPAC Name: 4-chloro-3-nitrobenzoic acid | CAS Registry Number: 96-99-1
Synonyms: 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, WLN: WNR BG EVQ, 4-CHLORO-3-NITROBENZOIC ACID, CCRIS 3126, C60007_ALDRICH, NSC 8440, 25450_FLUKA, EINECS 202-550-9, NSC8440, Kyselina 4-chloro-3-nitrobenzoova, BRN 0783626, SBB000404, 4-CHLORO-3-NITROBENZOIC ACIC, Kyselina 4-chloro-3-nitrobenzoova [Czech], LS-36572, TL8006017, 4-09-00-01226 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula:	C₇H₄ClNO₄	Molecular Weight:	201.563960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N

• 4-Hydroxybenzoic acid

IUPAC Name: 4-hydroxybenzoic acid | CAS Registry Number: 99-96-7
Synonyms: p-Hydroxybenzoic acid, 4-Carboxyphenol, p-Salicylic acid, 4-HYDROXYBENZOIC ACID, p-hydroxybenzoate, Paraben, 4-hydroxybenzoate, Benzoic acid, 4-hydroxy-, Benzoic acid, p-hydroxy-, 3pcc, 3pch, 4-Hydroxybenzoesaeure, Hydroxybenzoic acid, phenol derivative, 8, p-Oxybenzoesaure [German], Benzoic acid, p-hydroxy, Benzoic acid, 4-hydroxy, WLN: QVR DQ, CID135, Hydroxybenzenecarboxylic acid

Molecular Formula:	C₇H₆O₃	Molecular Weight:	138.120740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N

• 4-Hydroxybenzyl alcohol

IUPAC Name: 4-(hydroxymethyl)phenol | CAS Registry Number: 623-05-2
Synonyms: p-Methylolphenol, 4-Methylolphenol, 4-hydroxybenzyl alcohol, p-Hydroxybenzyl alcohol, 4-(Hydroxymethyl)phenol, p-(Hydroxymethyl)phenol, Benzenemethanol, 4-hydroxy-, alpha-Hydroxy-p-cresol, Benzyl alcohol, p-hydroxy-, 4-Hydroxybenzenemethanol, .alpha.-Hydroxy-p-cresol, CCRIS 5114, H20806_ALDRICH, W398705_ALDRICH, 4-HYDROXY-BENZYL-ALCOHOL, 54860_FLUKA, EINECS 210-768-0, NSC 227926, Benzyl alcohol, p-hydroxy- (8CI), Benzenemethanol, 4-hydroxy- (9CI)

Molecular Formula:	C₇H₈O₂	Molecular Weight:	124.137220 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BVJSUAQZOZWCKN-UHFFFAOYSA-N

• 4-Hydroxycoumarin

IUPAC Name: 2-hydroxychromen-4-one | CAS Registry Number: 1076-38-6
Synonyms: 4-Coumarinol, Benzotetronic acid, Coumarin, 4-hydroxy-, 2-Hydroxychromone, 4-OH coumarin, COUMARINOL, CYCLOCUMAROL, 4-Monohydroxycoumarin, 2-hydroxychromen-4-one, 4-Hydroxy-2H-chromen-2-one, CBiol_000838, WLN: T66 BOVJ EQ, H23805_ALDRICH, Coumarin, 4-hydroxy- (8CI), MEGxm0_000452, 4-HYDROXY-1-BENZOPYRAN-2-ONE, NSC11889, 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-, ACon1_001952, EINECS 214-060-2

Molecular Formula:	C₉H₆O₃	Molecular Weight:	162.142140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: OWBBAPRUYLEWRR-UHFFFAOYSA-N

• 4-Methylesculetin

IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one | CAS Registry Number: 529-84-0
Synonyms: Methylesculetin, 4-Methylesculetol, 4-Methylaesculetin, beta-Methylaesculetin, Spectrum_001029, SpecPlus_000495, 6,7-DIHYDROXY-4-METHYLCOUMARIN, Spectrum2_000617, Spectrum3_000592, Spectrum4_001864, Spectrum5_000428, 4-Methyl-6,7-dihydroxycoumarin, Oprea1_739367, BSPBio_002064, KBioGR_002330, KBioSS_001509, DivK1c_006591, SPECTRUM1500729, Coumarin, 6,7-dihydroxy-4-methyl-, SPBio_000554

Molecular Formula:	C₁₀H₈O₄	Molecular Weight:	192.168120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KVOJTUXGYQVLAJ-UHFFFAOYSA-N

• 4-Pyridinecarboxaldehyde

IUPAC Name: pyridine-4-carbaldehyde | CAS Registry Number: 872-85-5
Synonyms: Isonicotinaldehyde, p-Pyridinealdehyde, 4-Pyridinealdehyde, Isonicotinic aldehyde, 4-Pyridylaldehyde, p-Formylpyridine, Pyridine-4-carbaldehyde, 4-FORMYLPYRIDINE, Pyridin-4-al, gamma-Formylpyridine, Pyridine-4-carboxaldehyde, Pyridine-4-ylcarboxaldehyde, P62402_ALDRICH, NSC 8953, EINECS 212-832-3, NSC8953, c1163, SBB004357, ZINC00157163, AI3-33232

Molecular Formula:	C₆H₅NO	Molecular Weight:	107.110000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BGUWFUQJCDRPTL-UHFFFAOYSA-N

• 5-Hydroxy-1-(4'-hydroxy-3'-methoxyphenyl)-3-decanone

IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one | CAS Registry Number: 23513-14-6
Synonyms: gingerol, [6]-Gingerol, CBiol_001786, BSPBio_001347, KBioGR_000067, KBioSS_000067, KBio2_000067, KBio2_002635, KBio2_005203, KBio3_000133, KBio3_000134, Bio1_000072, Bio1_000561, Bio1_001050, Bio2_000067, Bio2_000547, CID442793, IDI1_033817, NCGC00163131-01, NCGC00163131-02

Molecular Formula:	C₁₇H₂₆O₄	Molecular Weight:	294.385940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NLDDIKRKFXEWBK-AWEZNQCLSA-N

• 6-Methoxykaempferol 3-O-rutinoside

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 403861-33-6
Synonyms: CHEMBL2037047, 4',5,7-Trihydroxy-6-methoxy-3-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]flavone

Molecular Formula:	C₂₈H₃₂O₁₆	Molecular Weight:	624.544080 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	16

InChIKey: FPVLVSUOCXHCMR-FPHOCJSOSA-N

• 7-Hydroxycarbostyril

IUPAC Name: 7-hydroxy-1H-quinolin-2-one | CAS Registry Number: 70500-72-0
Synonyms: 7-hydroxy-1H-quinolin-2-one, 2,7-Dihydroxyquinoline, 7-Hydroxyquinolinone, 7-hydroxyquinolin-2(1H)-one, quinoline-2,7-diol, AG-G-75261, PubChem5866, 7-hydroxy-2-quinolone, SureCN252706, SureCN5958458, 7-hydroxyhydroquinolin-2-one, 7-Hydroxy-2(1H)-quinolinone, 7-oxidanyl-1H-quinolin-2-one, QUI074, CHEBI:48987, CTK3J5947, MolPort-003-848-051, MolPort-008-426-778, ACT01971, ANW-49681

Molecular Formula:	C₉H₇NO₂	Molecular Weight:	161.157380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: DBSPUDKBNOZFMX-UHFFFAOYSA-N

• 9,9-BIS(4-AMINO-3-METHYLPHENYL)FLUORENE

IUPAC Name: 4-[9-(4-amino-3-methylphenyl)fluoren-9-yl]-2-methylaniline | CAS Registry Number: 107934-60-1
Synonyms: 9,9-Bis(4-amino-3-methylphenyl)fluorene, 9,9-BIS(3-METHYL-4-AMINOPHENYL)FLUORENE, 4,4'-(9H-Fluorene-9,9-diyl)bis(2-methylaniline), ACMC-1C6XP, SureCN283244, CTK4A5778, ANW-15868, AKOS015854810, AG-D-24002, 4,4'-(9-Fluorenylidene)di-o-toluidine, AK-96033, KB-239317, B2693, FT-0642643, 2,2'-Dimethyl-4,4'-(9-fluorenylidene)dianiline, I14-93165, Benzenamine,4,4'-(9H-fluoren-9-ylidene)bis[2-methyl-

Molecular Formula:	C₂₇H₂₄N₂	Molecular Weight:	376.492860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YRKVLGUIGNRYJX-UHFFFAOYSA-N

• 9-(2-Deoxy-2-Fluoro-Beta-D-Arabinofuranosyl)adenine

IUPAC Name: (2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 20227-41-2
Synonyms: arabino-F-Ado, SCHEMBL1389499, CHEMBL2032002, 2'-Deoxy-2'-fluoroarabinoadenosine, CA-1707, 6-Aminopurine-2'-fluoro-D-2'-deoxyarabineoside, 9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)adenine, (2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

Molecular Formula:	C₁₀H₁₂FN₅O₃	Molecular Weight:	269.232383 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: ZGYYPTJWJBEXBC-GQTRHBFLSA-N