Flavonoids
Kaempferol, TRC
CAS: 520-18-3 Molecular Formula: C15 H10 O6 Molecular Weight (g/mol): 286.24 Synonym: Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI),3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3,4',5,7-Tetrahydroxyflavone,3,5,7,4'-Tetrahydroxyflavone,3'-Deoxyquercetin,5,7,4'-Trihydroxyflavonol,C.I. 75640,CSU 2056,Indigo Yellow,Kaemferol,Kaempferol,Kaempherol,Kampcetin,Kempferol,NSC 407289,NSC 656277,Nimbecetin,Pelargidenolon,Pelargidenon,Populnetin,Rhamnolutein,Rhamnolutin,Robigenin,Swartziol,Trifolitin IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
Orientin, TRC
CAS: 28608-75-5 Molecular Formula: C21 H20 O11 Molecular Weight (g/mol): 448.38 Synonym: Orientin (6CI,7CI,8CI),4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-,2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one,8-β-D-Glucopyranosyl-3',4',5,7-tetrahydroxyflavone,Luteolin 8-C-glucoside,Luteolin 8-C-β-D-glucopyranoside,Luteolin 8-C-β-glucopyranoside,Luteolin-8-C-glucoside,Luteolin-8-glucoside,Lutexin,Orientin (flavone) IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4
Isoorientin, TRC
CAS: 4261-42-1 Molecular Formula: C21 H20 O11 Molecular Weight (g/mol): 448.38 Synonym: 2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one,Homoorientin,Lespecapitioside,Lespecapitoside,Luteolin 6-C-glucoside,Luteolin 6-C-β-D-glucopyranoside,Luteolin 6-C-β-D-glucoside,Lutonaretin IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)c(O)c4
Kaempferide, TRC
CAS: 491-54-3 Molecular Formula: C16 H12 O6 Molecular Weight (g/mol): 300.26 Synonym: 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-,Flavone, 3,5,7-trihydroxy-4'-methoxy- (7CI,8CI),Kaempferide (6CI),3,5,7-Trihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one,3,5,7-Trihydroxy-4'-methoxyflavone,4'-Methoxykaempferol,4'-Methylkaempferol,4'-O-Methylkaempferol,4'-O-Methylkaempherol,5,7-Dihydroxy-4'-methoxyflavonol,Kaempferid,Kaempferol 4'-O-methyl ether,Kaempferol 4'-methyl ether,Kaempherol 4'-O-methyl ether,NSC 407294 IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one SMILES: COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
Icariin, TRC
CAS: 489-32-7 Molecular Formula: C33 H40 O15 Molecular Weight (g/mol): 676.66 Synonym: 4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-,4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)- (9CI),Icariin (8CI),3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one,Icariine,Icariln,Ieariline IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one SMILES: COc1ccc(cc1)C2=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(CC=C(C)C)c4O2
Myricetin, TRC
CAS: 529-44-2 Molecular Formula: C15 H10 O8 Molecular Weight (g/mol): 318.24 Synonym: Flavone, 3,3',4',5,5',7-hexahydroxy- (8CI),3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one,3,3',4',5,5',7-Hexahydroxyflavone,3,5,7,3',4',5'-Hexahydroxyflavone,3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one,3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one,Cannabiscetin,LDN 0014058,Myricetin,Myricetol,NCBI 5281672,NSC 407290,4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- IUPAC Name: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3
Jaceosidin, TRC
CAS: 18085-97-7 Molecular Formula: C17H14O7 Molecular Weight (g/mol): 330.29 Synonym: 4',5,7-Trihydroxy-3',6-dimethoxy-flavone,5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one,3',6-Dimethoxy-4',5,7-trihydroxyflavone,4',5,7-Trihydroxy-3',6-dimethoxyflavone,4'-Demethyleupatilin,5,7,4'-Trihydroxy-6,3'-dimethoxyflavone; IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one SMILES: COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC)c(O)cc3O2
Kaempferitrin, TRC
CAS: 482-38-2 Molecular Formula: C27 H30 O14 Molecular Weight (g/mol): 578.52 Synonym: 4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-,Kaempferitrin (6CI,7CI,8CI),3,4',5,7-Tetrahydroxyflavone 3,7-dirhamnoside,3,7-Bis[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,Kaempferol 3,7-O-α-L-dirhamnoside,Kaempferol 3,7-bisrhamnoside,Kaempferol 3,7-di-O-rhamnopyranoside,Kaempferol 3,7-di-O-rhamnoside,Kaempferol 3,7-di-O-α-L-rhamnopyranoside,Kaempferol 3,7-di-α-L-rhamnopyranoside,Kaempferol 3,7-di-α-L-rhamnoside,Kaempferol 3,7-dirhamnoside,Kaempferol 3-O-rhamnoside 7-O-rhamnoside,Kaempferol 3-O-α-L-rhamnopyranoside 7-O-α-L-rhamnopyranoside,Kaempferol-3,7-O-dirhamnose,Lespedin,Lespenephryl IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one SMILES: C[C@@H]1O[C@@H](OC2=C(Oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3C2=O)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O
Neoponcirin, TRC
CAS: 14259-47-3 Molecular Formula: C28 H34 O14 Molecular Weight (g/mol): 594.56 Synonym: 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-, (2S)-,4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-, (S)-,Didymin (8CI),Flavanone, 5,7-dihydroxy-4'-methoxy-, 7β-rutinoside (7CI),(2S)-7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one,4'-Methoxy-5,7-dihydroxyflavanone 7-O-rutinoside,Didymine,Isosakuranetin 7-O-rutinoside,Isosakuranetin 7-rutinoside,Neoponcirin IUPAC Name: (2S)-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]oxy-2,3-dihydrochromen-4-one SMILES: COc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
Pelargonidin, TRC
CAS: 134-04-3 Molecular Formula: C15 H11 O5 . Cl Molecular Weight (g/mol): 306.7 Synonym: 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride (9CI),Flavylium, 3,4',5,7-tetrahydroxy-, chloride (8CI),Pelargonidin (6CI),3,4',5,7-Tetrahydroxyflavylium chloride,Pelargonidin chloride,Pelargonidol chloride IUPAC Name: 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: [Cl-].Oc1ccc(cc1)c2[o+]c3cc(O)cc(O)c3cc2O
Neohesperidin, TRC
CAS: 13241-33-3 Molecular Formula: C28 H34 O15 Molecular Weight (g/mol): 610.56 Synonym: 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-,4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-,Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 7-(2-O-α-L-rhamnopyranosyl-β-D-glucopyranoside) (7CI),Neohesperidin (6CI,8CI),(2S)-7-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one,(2S)-Neohesperidin,Hesperetin 7-O-neohesperidoside,Hesperetin 7-neohesperidoside,NSC 31048 IUPAC Name: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one SMILES: COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc3O2
(-)-Epicatechin, TRC
CAS: 490-46-0 Molecular Formula: C15 H14 O6 Molecular Weight (g/mol): 290.27 Synonym: (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-,Epicatechol, (-)- (8CI),(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,(-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol,(-)-Epicatechin,(-)-Epicatechol,(2R,3R)-(-)-Epicatechin,Epicatechin,Epicatechol,L-Epicatechin,NSC 81161,epi-Catechin,epi-Catechol,l-Acacatechin,l-Epicatechin,l-Epicatechol IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
Quercetin, TRC
CAS: 117-39-5 Molecular Formula: C15 H10 O7 Molecular Weight (g/mol): 302.24 Synonym: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,Flavone, 3,3',4',5,7-pentahydroxy- (7CI,8CI),Flavone, 3,4',5,5',7-pentahydroxy- (6CI),2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one,2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-benzopyran-4-one,3,3',4',5,7-Pentahydroxyflavone,3,5,7,3',4'-Pentahydroxyflavone,3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one,3'-Hydroxykaempferol,C.I. 75670,Corvitin,Cyanidelonon 1522,Korvitin,LDN 0052529,Lipoflavon,Meletin,NSC 57655,NSC 9219,Quercetin,Quercetine,Quercetol,Quertin,Quertine,Sophoretin,Xanthaurine IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one SMILES: OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3
Isovitexin, TRC
CAS: 38953-85-4 Molecular Formula: C21 H20 O10 Molecular Weight (g/mol): 432.38 Synonym: 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-,Flavone, 6-β-D-glucopyranosyl-4',5,7-trihydroxy- (7CI),Homovitexin (6CI),6-β-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,6-C-Glucosylapigenin,6-C-β-D-Glucopyranosylapigenin,Apigenin 6-C-β-D-glucoside,Apigenin 6-C-β-glucopyranoside,Apigenin-6-C-glucoside,Apigenin-6-C-β-D-glucopyranoside,Avroside,Isoavroside,Isovitexin,Isovitexin (C-6 isomer),Saponaretin IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)cc4
Baicalin, TRC
CAS: 21967-41-9 Molecular Formula: C21 H18 O11 Molecular Weight (g/mol): 446.36 Synonym: β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl,Baicalin (6CI,7CI,8CI),Baicalein 7-O-glucuronide,Baicalein 7-O-β-D-glucuronide,Baicalein 7-glucuronide 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 SMILES: O[C@H]1[C@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O