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Profile: Shanghai Standard Biotech Co., Ltd. offers reference chemicals, plant extracts and authentic herbs. TCM reference chemicals are extracted & isolated from natural plants and animal products. Plant extracts include salvianolic acid, edestin and camptothecin.

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• Acetyl-11-keto-beta-boswellic acid
IUPAC Name: (3R,4R,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid | CAS Registry Number: 67416-61-9
Synonyms: Acetyl-11-keto-b-boswellic acid, AKOS016010157, AK115157

Molecular Formula: C32H48O5Molecular Weight: 512.720520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HMMGKOVEOFBCAU-XTTIIYOSSA-N

• Acteoside
IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | CAS Registry Number: 61276-17-3
Synonyms: Verbascoside, Kusaginin, MLS002473233, TJC 160, AIDS030638, NSC 603831, AIDS-030638, C29H36O15, NSC603831, CID5281800, LS-71509, SMR001397320, C10501, (B864379), Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-, .beta.-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl3-O-(6-deoxy-.alpha.-L-mannopyranosyl)-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate], 22323-52-0, 27625-92-9, Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-,4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-beta-D-

Molecular Formula: C29H36O15Molecular Weight: 624.587140 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 15

InChIKey: FBSKJMQYURKNSU-ZLSOWSIRSA-N

• Aloe-emodine
IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione | CAS Registry Number: 481-72-1
Synonyms: Aloe-emodin, Aloe emodin, Rhabarberone, emodin, Aloeemodin, aloe emodine, EMODINE, 3-Hydroxymethylchrysazin, Ambap3320, 3-Hydroxymethylchrysazine, CCRIS 3526, MLS000697563, A7687_SIGMA, NSC 38628, NSC38628, EINECS 207-571-7, AIDS048396, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, AIDS-048396, C15H10O5

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N

• Aloin
IUPAC Name: (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one | CAS Registry Number: 1415-73-2
Synonyms: aloin, Barbaloin, Aloinum, Aloin A, Aloin [BAN], EINECS 215-808-0, NSC 227189, NSC 631263, LS-185038, 10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthrone, C10305, 10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone,(R)-, 10-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone, (R)-10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one, 1,8-Dihydroxy-3-hydroxymethyl-10-(6-hydroxymethyl-3,4,5-trihydroxy-2-pyranyl)anthrone, 10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone, 10361-17-8, 11019-96-8, 25429-08-7, 31017-11-5

Molecular Formula: C21H22O9Molecular Weight: 418.393980 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 9

InChIKey: AFHJQYHRLPMKHU-WEZNYRQKSA-N

• Alpinetin
IUPAC Name: (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | CAS Registry Number: 36052-37-6
Synonyms: (-)-alpinetin, CHEBI:518574, AIDS354121, AIDS-354121, CID154279, ZINC00338037, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-2-phenyl-, (2S)-, (2S)-7-Hydroxy-5-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QQQCWVDPMPFUGF-ZDUSSCGKSA-N

• Ammonium Glycyrrhizinate
IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid; azane | CAS Registry Number: 53956-04-0
Synonyms: Glycamil, Glycyrram, Ammonium glycyrrhizate, Glycyron No.1, Ammoniated glycyrrhizin, Glycyrrhizin, ammoniated, Monoammonium glycyrrhizinate, Monoammonium glycyrrhizate, Glycyron No.1 (TN), AMMONIUM GLYCYRRHIZINATE, FEMA No. 2528, CCRIS 1897, Glycyrrhizic acid, ammonium salt, NSC 2800, EINECS 258-887-7, Glycyrrhizic acid, monoammonium salt, Monoammonium glycyrrhizinate (JAN), Glycyrrhizinic acid, ammonium salt (1:1), Glycyrrhizin, ammoniated (Glycyrrhiza spp.), LS-71624

Molecular Formula: C42H65NO16Molecular Weight: 839.962600 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 17

InChIKey: ILRKKHJEINIICQ-OOFFSTKBSA-N

• Amygdalin
IUPAC Name: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile | CAS Registry Number: 29883-15-6
Synonyms: amygdalin, D-Amygdalin, (R)-Laenitrile, (R)-Amygdaloside, (R)-Amygdalin, STOCK1N-52529, CHEBI:17019, SMP1_000103, D(-)-Mandelonitrile-beta-D-gentiobioside, (-)-D-mandelonitrile beta-D-gentiobioside, TL8002322, C08325, D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside, (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile

Molecular Formula: C20H27NO11Molecular Weight: 457.428480 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: XUCIJNAGGSZNQT-JHSLDZJXSA-N

• Andrographolide
IUPAC Name: (3E)-3-[2-[(1R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one | CAS Registry Number: 5508-58-7
Synonyms: Andrographis, EINECS 226-852-5, NSC 383468, C20H30O5, CID6436016, LS-70361, 2(3H)-Furanone, 3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)dihydro-4-hydroxy-, (1R-(1-alpha(E(S*)),4a-beta,5-alpha,6-alpha,8a-alpha))-, 3-(2-(Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenenaphthyl)ethylidene)dihydro-4-hydroxyfuran-2(3H)-one

Molecular Formula: C20H30O5Molecular Weight: 350.449200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BOJKULTULYSRAS-ZJFCSBQFSA-N

• Anemoside B4
IUPAC Name: [(2S,3R,4S,5S)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (5aS,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-9-[(3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-8-(hydroxymethyl)-5a,5b,8,11a,13a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate | CAS Registry Number: 129741-57-7
Synonyms: N1438

Molecular Formula: C60H98O26Molecular Weight: 1235.404520 [g/mol]
H-Bond Donor: 15H-Bond Acceptor: 26

InChIKey: XLBRLNYIBZWSAV-ZCSAOVMRSA-N

• Apigenin
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 520-36-5
Synonyms: apigenin, Apigenine, Chamomile, Apigenol, Spigenin, Versulin, 4',5,7-Trihydroxyflavone, Pelargidenon 1449, Prestwick_719, C.I. Natural Yellow 1, nchembio790-comp26, Tocris-1227, 5,7,4'-Trihydroxyflavone, BiomolKI_000078, Prestwick0_000414, Prestwick1_000414, Prestwick2_000414, Prestwick3_000414, Spectrum2_000428, Spectrum3_001882

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

• Arctiin
IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one | CAS Registry Number: 20362-31-6
Synonyms: Arctigenin-4-glucoside, Arctiin (8CI), MEGxp0_000527, ACon1_001261, AIDS002468, NSC 315527, AIDS-002468, CID100528, NCGC00169522-01, LS-69357, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)-, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI), 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-

Molecular Formula: C27H34O11Molecular Weight: 534.552260 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 11

InChIKey: XOJVHLIYNSOZOO-SWOBOCGESA-N

• Aristolochic acid
IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | CAS Registry Number: 313-67-7
Synonyms: Tardolyt, Aristolochin, Aristolochic acid I, Birthwort, Aristolochiazaeure, Aristolochic acid A, Aristolochic acid-I, ARISTOLOCHINE, Spectrum_001156, SpecPlus_000448, Spectrum2_000822, Spectrum3_001114, Spectrum4_001952, Spectrum5_000729, NCIMech_000812, CCRIS 1544, TR 1736, BSPBio_001440, BSPBio_002848, KBioGR_000160

Molecular Formula: C17H11NO7Molecular Weight: 341.271740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

• Artemisinin
Synonyms: artemisinin, Artemisinine, Qinghaosu, Arteannuin, Qing Hau Sau, (+)-Arteannuin, Prestwick_818, Artemisinin (INN), nchembio806-comp6, nchembio875-comp2, nchembio.87-comp18, UPCMLD-DP074, SPECTRUM1503042, 361593_ALDRICH, UPCMLD-DP074:001, AIDS001420, BB_NC-0820, AIDS-001420, NSC369397, SDCCGMLS-0066721.P001

Molecular Formula: C15H22O5Molecular Weight: 282.332180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BLUAFEHZUWYNDE-DCJAHCNHSA-N

• Asiaticoside
IUPAC Name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | CAS Registry Number: 16830-15-2
Synonyms: Asiaticosid, Emdecassol, Madecassol, Dermatologico, Centelase, Blastoestimulina, Ba 2742, CCRIS 8995, EINECS 240-851-7, NSC 166062, BRN 0078195, C48H78O19, NSC166062, LS-160852, 4-17-00-03627 (Beilstein Handbook Reference), (O-alpha-L-Rhamnopyranoxyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)-2alpha,3beta,23-trihydroxy-12-ursen-28-oat, 2alpha,3beta,23-Trihydroxy-urs-12-en-28-saeure(O-alpha-L-rhamnopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)ester, O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate, O-6-Desoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl 2alpha,3beta,23-trihydroxy-12-ursen-28-at, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-

Molecular Formula: C48H78O19Molecular Weight: 959.121520 [g/mol]
H-Bond Donor: 12H-Bond Acceptor: 19

InChIKey: WYQVAPGDARQUBT-UHFFFAOYSA-N

• Asperosaponin D
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (6aR,6aS,6bR,8aR,9R,10S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylate | CAS Registry Number: 39524-08-8
Synonyms: Asperosaponin cento, N1440

Molecular Formula: C47H76O18Molecular Weight: 929.095540 [g/mol]
H-Bond Donor: 11H-Bond Acceptor: 18

InChIKey: IQBGAKMHKIKQPI-VTBZEMHUSA-N

• Astilbin
IUPAC Name: (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one | CAS Registry Number: 29838-67-3
Synonyms: Neoastilbin, MLS002473045, CHEBI:27669, (2S,3S)-Taxifolin 3-rhamnoside, CID442437, SMR001397149, C09803, (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside

Molecular Formula: C21H22O11Molecular Weight: 450.392780 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 11

InChIKey: ZROGCCBNZBKLEL-MFSALPCASA-N

• Astragaloside IV
Synonyms: Astragaloside A, Astragaloside-A, Astramembrannin I, Cyclosiversioside F, CID122690, beta-D-Glucopyranoside, (3beta,6alpha,16beta,24R)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl

Molecular Formula: C41H68O14Molecular Weight: 784.970220 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 14

InChIKey: QMNWISYXSJWHRY-XZFBGSIGSA-N

• Aucubin
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula: C15H22O9Molecular Weight: 346.329780 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-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: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-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: C21H18O11Molecular Weight: 446.361020 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• beta,beta-Dimethylacrylalkannin
IUPAC Name: [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate | CAS Registry Number: 34539-65-6
Synonyms: b,b-Dimethylacrylalkannin, AC1L9DAH, NCIMech_000202, SureCN4284806, CHEMBL513640, MolPort-020-005-779, Alkannin beta,beta-dimethylacrylate, 5162-01-6, CCG-35291, AK128297, C10293, [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate, Crotonic acid, 3-methyl-, 2-ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone

Molecular Formula: C21H22O6Molecular Weight: 370.395780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BATBOVZTQBLKIL-KRWDZBQOSA-N

• Betulonic acid
IUPAC Name: (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid | CAS Registry Number: 4481-62-3
Synonyms: 3-Deoxy-3-oxo-betulinic acid, CHEBI:171232, AIDS051817, AIDS-051817, CID122844, 3-Oxolup-20(29)-en-28-oic acid, Lup-20(29)-en-28-oic acid, 3-oxo-, (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid, (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-icosahydro-cyclopenta[a]chrysene-3a-carboxylic acid

Molecular Formula: C30H46O3Molecular Weight: 454.684440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SLJTWDNVZKIDAU-SVAFSPIFSA-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: C15H18O8Molecular Weight: 326.298620 [g/mol]
H-Bond Donor: 2H-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: C16H12O5Molecular Weight: 284.263480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WUADCCWRTIWANL-UHFFFAOYSA-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: C23H26N2O4Molecular Weight: 394.463540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RRKTZKIUPZVBMF-IBTVXLQLSA-N

• Buddleoside
IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-7-[(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: 480-36-4
Synonyms: Linarin, Acaciin, Acacetin-7-O-rutinoside, Bio-0591, CHEBI:545925, EINECS 207-547-6, ZINC04349491, CID5317025, LS-193888, 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one

Molecular Formula: C28H32O14Molecular Weight: 592.545280 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 14

InChIKey: YFVGIJBUXMQFOF-PJOVQGMDSA-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: C9H8O4Molecular Weight: 180.157420 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: QAIPRVGONGVQAS-DUXPYHPUSA-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: C8H10N4O2Molecular Weight: 194.190600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N

• Camphor
IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 76-22-2
Synonyms: camphor, 2-Camphanone, Formosa camphor, Laurel camphor, 2-Bornanone, DL-Camphor, Gum camphor, Alcanfor, Alphanon, Root bark oil, Sarna, Heet, Spirit of camphor, Japanese camphor, (+)-Camphor, Kampfer, Camphor USP, d-2-Camphanone, Matricaria camphor, Japan camphor

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DSSYKIVIOFKYAU-UHFFFAOYSA-N

• Cantharidine
Synonyms: cantharidin, Cantharone, Kantaridin, Cantharides, Cantharides camphor, Blister beetles, Spanish fly, CANTHARIDINE, Kantharidin [German], Caswell No. 157, Cantharis vesicatoria, Ambap5104, Prestwick3_000885, CCRIS 635, NCIMech_000301, BSPBio_000670, HSDB 2181, NSC61805, BPBio1_000738, EINECS 200-263-3

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DHZBEENLJMYSHQ-XCVPVQRUSA-N

• Casticin; Vitexicarpin
IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one | CAS Registry Number: 479-91-4
Synonyms: Vitexicarpin, Casticin, LMPK12113010, CID5315263, Quercetagetin 3,6,7,4'-tetramethyl ether, 3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-

Molecular Formula: C19H18O8Molecular Weight: 374.341420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: PJQLSMYMOKWUJG-UHFFFAOYSA-N

• Catechin
IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 154-23-4
Synonyms: Cianidanol, Cyanidanol, D-Catechin, (+)-catechin, Biocatechin, Catergen, Catechinic acid, Catechuic acid, catechol, CATECHIN, Cianidol, Dexcyanidanol, (+)-Catechol, D-Catechol, Catechin (flavan), Catechol (flavan), (+)-Cyanidanol, (+)-Cyanidan-3-ol, Cyanidol, Transepar

Molecular Formula: C15H14O6Molecular Weight: 290.268060 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: PFTAWBLQPZVEMU-DZGCQCFKSA-N

• Cavidine
Synonyms: (+)-cavidine, CHEBI:544188, CID193148, 9-Dimethoxy-6-methyl-6,6a,11,14-tetrahydro-8,12H-benzo(a)-1,3-benzodioxolo(4,5-g)quinolizine

Molecular Formula: C21H23NO4Molecular Weight: 353.411620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JTZZGWPIBBTYNE-FKIZINRSSA-N

• Cepharanthine
Synonyms: CEPHARANTHINE, Cepharanthin, Cepharantin, (+)-Cepharanthine, O-Methylcepharanoline, Cepharanthine [JAN], Cepharanthine (TN), Cepharanthine (JAN), Spectrum2_000832, Spectrum3_001963, UPCMLD-DP054, CCRIS 6539, BSPBio_003563, MLS000728518, SPECTRUM1505322, SPBio_000783, UPCMLD-DP054:001, KBio3_002909, AIDS080398, BB_NC-1037

Molecular Formula: C37H38N2O6Molecular Weight: 606.707420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: YVPXVXANRNDGTA-WDYNHAJCSA-N

• Chelerythrine Chloride
IUPAC Name: 1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | CAS Registry Number: 34316-15-9
Synonyms: chelerythrine, Toddalin, Toddaline, Chelerythrine chloride, Helleritrine hydroxide, Chelerythrine hydroxide, nchembio873-comp36, Chelerythrinium hydroxide, Chelerythrine aurichloride, Lopac-C-2932, Benzophenanthridine alkaloid, Lopac0_000241, BSPBio_001558, 478-03-5 (hydroxide), MEGxp0_001953, 3895-92-9 (chloride), C21H18NO4, EINECS 251-930-0, CID2703, CHEBI:111199

Molecular Formula: C21H18NO4+Molecular Weight: 348.371920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: LLEJIEBFSOEYIV-UHFFFAOYSA-N

• Chrysin
IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-one | CAS Registry Number: 480-40-0
Synonyms: chrysin, Chrysine, 5,7-Dihydroxyflavone, Crysin, Galangin flavanone, 5,7-diOH-Flavone, 5,7-dihydroxy-flavone, Spectrum_000245, Prestwick0_000889, Prestwick1_000889, Prestwick2_000889, Prestwick3_000889, Spectrum2_000753, Spectrum3_001399, Spectrum4_000780, Spectrum5_001503, FLAVONE, 5,7-DIHYDROXY-, Oprea1_045160, BSPBio_000678, BSPBio_002514

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-N

• Chrysophanol
IUPAC Name: 1,8-dihydroxy-3-methylanthracene-9,10-dione | CAS Registry Number: 481-74-3
Synonyms: CHRYSOPHANIC ACID, Turkey rhubarb, 3-Methylchrysazin, Crysophanic acid, Crysophanol, Chrysophansaeure, nchembio805-comp1, 1,8-Dihydroxy-3-methylanthraquinone, C.I. Natural Yellow 23, Spectrum_000792, SpecPlus_000321, Spectrum2_000043, Spectrum3_001183, Spectrum4_001477, Spectrum5_000153, 4,5-Dihydroxy-2-methylanthraquinone, CCRIS 3525, BSPBio_002825, KBioGR_002053, KBioSS_001272

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LQGUBLBATBMXHT-UHFFFAOYSA-N

• cimifugin
IUPAC Name: (2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one | CAS Registry Number: 37921-38-3
Synonyms: Cimifugin, C09000

Molecular Formula: C16H18O6Molecular Weight: 306.310520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ATDBDSBKYKMRGZ-ZDUSSCGKSA-N

• Cinobufagin
Synonyms: Cinobufagine, Cino-bufagin, C1272_SIGMA, NSC90325, CID11969542, 5beta,20(22)-Bufadienolide-3beta,16beta-diol-14,15beta-epoxy 16-acetate, 14,15beta-Epoxy-3beta,16beta-dihydroxy-5beta,20(22)-bufadienolide 16-acetate, 5.beta.-Bufa-20,22-dienolide, 14,15.beta.-epoxy-3.beta.,16.beta.-dihydroxy-, 16-acetate, Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3.beta.,5.beta.,15.beta.,16.beta.)-

Molecular Formula: C26H34O6Molecular Weight: 442.544560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SCULJPGYOQQXTK-OLRINKBESA-N

• Clihoric
IUPAC Name: (2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid | CAS Registry Number: 70831-56-0
Synonyms: Chicoric acid, Cichoric Acid, L-Chicoric acid, (-)-Chicoric acid, Ambap861, L-DCTA, (-)-L-Chicoric acid, Chicoric acid, (-)-, L-CA, Dicaffeoyl-L-tartaric acid, NSC699173, AIDS029768, NSC 699173, AIDS-029768, C22H18O12, CID5281764, NCGC00091914-01, LS-176843, C10437, 2,3-Bis((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)butanedioic acid

Molecular Formula: C22H18O12Molecular Weight: 474.371120 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 12

InChIKey: YDDGKXBLOXEEMN-IABMMNSOSA-N

• Clinodiside A
IUPAC Name: 2-[[4,5-dihydroxy-6-[[8-hydroxy-5,8a-bis(hydroxymethyl)-5,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 916347-31-4
Synonyms: Buddlejasaponin centob, N1207

Molecular Formula: C48H78O19Molecular Weight: 959.121520 [g/mol]
H-Bond Donor: 13H-Bond Acceptor: 19

InChIKey: HVRAMEAUCOTBHH-UHFFFAOYSA-N

• Cnidium Monnier
IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one | CAS Registry Number: 484-12-8
Synonyms: Osthole, Osthol, Ostole, Ostol, Spectrum_001542, SpecPlus_000946, Spectrum2_000723, Spectrum3_001645, Spectrum4_001687, Spectrum5_000334, 7-Methoxy-8-isopentenylcoumarin, 8-(3-Methyl-2-butenyl)herniarin, Oprea1_642606, Oprea1_873803, BSPBio_003369, KBioGR_001954, KBioSS_002022, MLS000574904, MLS001048988, DivK1c_007042

Molecular Formula: C15H16O3Molecular Weight: 244.285740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N

• Cochinchinenin C
IUPAC Name: 3-[4-hydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-2-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one | CAS Registry Number: 956103-79-0
Synonyms: CHEMBL254649, COCHINCHINENIN C

Molecular Formula: C33H34O7Molecular Weight: 542.618860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: SLJWKFROLINAGW-UHFFFAOYSA-N

• Columbianadin
IUPAC Name: 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate | CAS Registry Number: 5058-13-9
Synonyms: Zosimin, MLS000574825, AIDS071122, AIDS-071122, ZINC05179146, CID6436246, SMR000156217, 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylet- hyl ester, (S-(Z))-, 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (S-(Z))-

Molecular Formula: C19H20O5Molecular Weight: 328.359100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JRIBPWOXWIRQOQ-GHAIFCDISA-N

• Cordycepin
IUPAC Name: (2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 73-03-0
Synonyms: 3'-Deoxyadenosine, Cordycepine, 9-Cordyceposidoadenine, ADENOSINE, 3'-DEOXY-, 2'-OH-3'-dA erythro, CCRIS 3233, MLS001066343, C3394_SIGMA, CHEBI:29014, EINECS 200-791-4, CID6303, 9-(beta-D-3'-Deoxyribofuranosyl)adenine, AIDS000980, C10H13N5O3, NSC 401022, NSC 627047, AIDS-000980, BRN 0035194, CPD-10129, NSC627047

Molecular Formula: C10H13N5O3Molecular Weight: 251.241920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N

• Costunolide
IUPAC Name: (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one | CAS Registry Number: 553-21-9
Synonyms: STOCK1N-49769, AIDS059915, AIDS-059915, NSC106404, CID5281437, C09382, Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylene-, (3aS,6E,10E,11aR)-

Molecular Formula: C15H20O2Molecular Weight: 232.318100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HRYLQFBHBWLLLL-AHNJNIBGSA-N

• Cycleanine
Synonyms: (-)-Cycleanine, O-Methylnorcycleanine, Dimethylisochondodendrine, O,O-Dimethylisochondodendrin, O,O-Dimethylisochondrodendrine, Cycleanine (6CI,7CI,8CI), Cycleanine + other alkaloids, CHEBI:623135, CID121313, NSC615580, LS-61806, 8,11:20,23-Dietheno-1H,12H-(1,10)dioxacyclooctadecino(2,3,4-ij:11,12,13-i'j')diisoquinoline, 2,3,12a,13,14,15,24,24a-octahydro-1,13-dimethyl-5,6,17,18-tetramethoxy-, (12aR-(12aR*,24aR*))-

Molecular Formula: C38H42N2O6Molecular Weight: 622.749880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ANOXEUSGZWSCQL-LOYHVIPDSA-N

• Daidzein
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 486-66-8
Synonyms: daidzein, Daidzeol, Diadzein, Isoaurostatin, 4',7-Dihydroxyisoflavone, 7,4'-Dihydroxyisoflavone, Daidzein (6CI), nchembio.76-comp16, Spectrum_000255, Tocris-1417, BiomolKI_000060, Spectrum2_000053, Spectrum3_000191, Spectrum4_001964, Spectrum5_000857, Lopac-D-7802, BiomolKI2_000066, UPCMLD-DP052, CCRIS 7600, Lopac0_000412

Molecular Formula: C15H10O4Molecular Weight: 254.237500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N

• Daidzin
IUPAC Name: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 552-66-9
Synonyms: Daidzoside, Daidzein 7-glucoside, Daidzein-7-glucoside, Daidzein 7-O-glucoside, Ambap7584, 4',7-Dihydroxyisoflavone, daidzein 7-O-beta-D-glucoside, nchembio.2007.28-comp34, MEGxp0_000530, 7-O-B-D-GLUCOPYRANOSIDE, 30408_FLUKA, ACon1_002092, CHEBI:42202, BRN 0059741, Daidzein-7-O-beta-D-glucopyranoside, CID107971, NCGC00163532-01, NCGC00179839-01, LS-39679, C10216

Molecular Formula: C21H20O9Molecular Weight: 416.378100 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-N

• Daphnetin
IUPAC Name: 7,8-dihydroxychromen-2-one | CAS Registry Number: 486-35-1
Synonyms: daphnetin, Daphnetol, 7,8-Dihydroxycoumarin, 7,8-dihydroxy-coumarin, SpecPlus_000864, Spectrum3_000784, Spectrum4_001254, Lopac-D-5564, 78-DIHYDROXYCOUMARIN, Lopac0_000330, Oprea1_044324, BSPBio_002488, KBioGR_001808, D5564_SIGMA, DivK1c_006960, 7,8-Dihydroxy-2H-1-benzopyran-2-one, C9H6O4, COUMARIN, 7,8-DIHYDROXY-, CHEBI:17313, EINECS 207-632-8

Molecular Formula: C9H6O4Molecular Weight: 178.141540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ATEFPOUAMCWAQS-UHFFFAOYSA-N


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