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Flavonoids

Polyphenolic organic compounds that have 15 carbons with the general structure of two phenyl rings and a heterocyclic ring, or a ring with two or more atoms. Flavonoids are a class of polyphenolic plant and fungus secondary metabolites.
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Keyword Search:
1 – 15 of 67 results
1

(+)-Catechin, TRC

CAS: 154-23-4 Molecular Formula: C15 H14 O6 Molecular Weight (g/mol): 290.27 Synonym: (+)-Catechin,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-,Catechol (8CI),(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,(+)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol,(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol,(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol,(+)-Catechin,(+)-Catechol,(+)-Cianidanol,(+)-Cyanidan-3-ol,(+)-Cyanidanol,(+)-Cyanidanol-3,(2R,3S)-(+)-Catechin,3-Cyanidanol, (+)-,Biocatechin,Catechin,Catechin (flavan),Catechinic acid,Catechol (flavan),Catechuic acid,Catergen,Cianidanol,Cyanidanol,Cyanidol,D-(+)-Catechin,D-Catechin,D-Catechol,Dexcyanidanol,HB-MC-TS 35,NSC 2819,P 70A,Sunkatol No. 1,Sunphenon 90,Teafuran 30A,Teafuran 30E,d-Catechin,trans-(+)-3,3',4',5,7-Flavanpentol IUPAC Name: (2R,3S)-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

CAS 154-23-4
Molecular Weight (g/mol) 290.27
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
Synonym (+)-Catechin,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-,Catechol (8CI),(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol,(+)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol,(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol,(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol,(+)-Catechin,(+)-Catechol,(+)-Cianidanol,(+)-Cyanidan-3-ol,(+)-Cyanidanol,(+)-Cyanidanol-3,(2R,3S)-(+)-Catechin,3-Cyanidanol, (+)-,Biocatechin,Catechin,Catechin (flavan),Catechinic acid,Catechol (flavan),Catechuic acid,Catergen,Cianidanol,Cyanidanol,Cyanidol,D-(+)-Catechin,D-Catechin,D-Catechol,Dexcyanidanol,HB-MC-TS 35,NSC 2819,P 70A,Sunkatol No. 1,Sunphenon 90,Teafuran 30A,Teafuran 30E,d-Catechin,trans-(+)-3,3',4',5,7-Flavanpentol
IUPAC Name (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C15 H14 O6
2

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

CAS 520-18-3
Molecular Weight (g/mol) 286.24
SMILES OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3
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
Molecular Formula C15 H10 O6
3

Hidiosmin, TRC

CAS: 115960-14-0 Molecular Formula: C30H36O16 Molecular Weight (g/mol): 652.6 Synonym: 7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one,5-O-(beta-Hydroxyethyl)diosmin IUPAC Name: 5-(2-hydroxyethoxy)-2-(3-hydroxy-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 SMILES: COc1ccc(cc1O)C2=CC(=O)c3c(OCCO)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

CAS 115960-14-0
Molecular Weight (g/mol) 652.6
SMILES COc1ccc(cc1O)C2=CC(=O)c3c(OCCO)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
Synonym 7-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one,5-O-(beta-Hydroxyethyl)diosmin
IUPAC Name 5-(2-hydroxyethoxy)-2-(3-hydroxy-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
Molecular Formula C30H36O16
4

Apiin, TRC

CAS: 26544-34-3 Molecular Formula: C26 H28 O14 Molecular Weight (g/mol): 564.49 Synonym: Apigenin 7-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside,7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one; IUPAC Name: 7-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@@H]5O)[C@@H](O)[C@@H]1O

CAS 26544-34-3
Molecular Weight (g/mol) 564.49
SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O[C@@H]5OC[C@](O)(CO)[C@@H]5O)[C@@H](O)[C@@H]1O
Synonym Apigenin 7-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside,7-[(2-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one;
IUPAC Name 7-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Formula C26 H28 O14
5

Linarine, TRC

CAS: 480-36-4 Molecular Formula: C28 H32 O14 Molecular Weight (g/mol): 592.545 Synonym: Linarin,4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-,Linarin (6CI,7CI,8CI),5-Hydroxy-4'-methoxyflavone-7-O-rutinoside,7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5- 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 SMILES: COc1ccc(cc1)C2=CC(=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

CAS 480-36-4
Molecular Weight (g/mol) 592.545
SMILES COc1ccc(cc1)C2=CC(=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
Synonym Linarin,4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-,Linarin (6CI,7CI,8CI),5-Hydroxy-4'-methoxyflavone-7-O-rutinoside,7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-
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
Molecular Formula C28 H32 O14
6

(+)-Gallocatechin, TRC

CAS: 970-73-0 Molecular Formula: C15H14O7 Molecular Weight (g/mol): 306.27 Synonym: 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-,Gallocatechol (8CI),Gallocatechol, d- (6CI),(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(+)-Gallocatechin,(+)-Gallocatechol,(2R,3S)-(+)-Gallocatechin,Gallocatechin,NSC 674038,Sunphenon EGC-OP,d-Gallocatechin,Gallocatechol,(+)-gallocatechol,D-Gallocatechin; IUPAC Name: (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3

CAS 970-73-0
Molecular Weight (g/mol) 306.27
SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
Synonym 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-,Gallocatechol (8CI),Gallocatechol, d- (6CI),(2R,3S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(+)-Gallocatechin,(+)-Gallocatechol,(2R,3S)-(+)-Gallocatechin,Gallocatechin,NSC 674038,Sunphenon EGC-OP,d-Gallocatechin,Gallocatechol,(+)-gallocatechol,D-Gallocatechin;
IUPAC Name (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C15H14O7
7

Pinobanksin, TRC

CAS: 548-82-3 Molecular Formula: C15H12O5 Molecular Weight (g/mol): 272.25 Synonym: (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one SMILES: O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3

CAS 548-82-3
Molecular Weight (g/mol) 272.25
SMILES O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3ccccc3
Synonym (2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,(2R-trans)-2,3-Dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one,3,5,7-Trihydroxyflavanone,(2R,3R)-Pinobanksin,3,5,7-Trihydroxyflavanone,Dihydrogalangin
IUPAC Name (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular Formula C15H12O5
8

(-)-Epigallocatechin, TRC

CAS: 970-74-1 Molecular Formula: C15 H14 O7 Molecular Weight (g/mol): 306.27 Synonym: 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-,Epigallocatechol (8CI),Gallocatechol, l- (6CI),(2R,3R)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(-)-3,3',4',5,5',7-Flavanhexol,(-)-Epigallocatechin,(-)-Epigallocatechol,(-)-epi-Gallocatechin,(2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxychroman,1-epi-3',4',5',5,7-Pentahydroxy-3-flavanol,3,3',4',5,5',7-Flavanhexol,Antiscurvy factor C2,EGC,Epigallocatechin,Factor C2 (antiscurvy),Galloepicatechin,L-Epigallocatechin,NSC 674039,Sunphenon EGC,epi-Gallocatechin,l-Epigallocatechin,l-Epigallocatechol IUPAC Name: (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol SMILES: O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3

CAS 970-74-1
Molecular Weight (g/mol) 306.27
SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3
Synonym 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-,Epigallocatechol (8CI),Gallocatechol, l- (6CI),(2R,3R)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol,(-)-3,3',4',5,5',7-Flavanhexol,(-)-Epigallocatechin,(-)-Epigallocatechol,(-)-epi-Gallocatechin,(2R,3R)-2-(3,4,5-Trihydroxyphenyl)-3,5,7-trihydroxychroman,1-epi-3',4',5',5,7-Pentahydroxy-3-flavanol,3,3',4',5,5',7-Flavanhexol,Antiscurvy factor C2,EGC,Epigallocatechin,Factor C2 (antiscurvy),Galloepicatechin,L-Epigallocatechin,NSC 674039,Sunphenon EGC,epi-Gallocatechin,l-Epigallocatechin,l-Epigallocatechol
IUPAC Name (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Formula C15 H14 O7
9

Casticin, TRC

CAS: 479-91-4 Molecular Formula: C19 H18 O8 Molecular Weight (g/mol): 374.34 Synonym: 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-,Casticin (6CI),Flavone, 3',5-dihydroxy-3,4',6,7-tetramethoxy- (7CI,8CI),3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone,3,6,7,4'-Tetra-O-methylquercetagetin,5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone,5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone,5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one,Casticine,Quercetagetin 3,6,7,4'-tetramethyl ether,Vitexicarpin IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one SMILES: COC1=C(Oc2cc(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3

CAS 479-91-4
Molecular Weight (g/mol) 374.34
SMILES COC1=C(Oc2cc(OC)c(OC)c(O)c2C1=O)c3ccc(OC)c(O)c3
Synonym 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-,Casticin (6CI),Flavone, 3',5-dihydroxy-3,4',6,7-tetramethoxy- (7CI,8CI),3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone,3,6,7,4'-Tetra-O-methylquercetagetin,5,12-Dihydroxy-2,6,7,13-tetramethoxyflavone,5,3'-Dihydroxy-3,6,7,4'-tetramethoxyflavone,5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one,Casticine,Quercetagetin 3,6,7,4'-tetramethyl ether,Vitexicarpin
IUPAC Name 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
Molecular Formula C19 H18 O8
10

Isoquercitroside, TRC

CAS: 21637-25-2 Molecular Formula: C21 H20 O12 Molecular Weight (g/mol): 464.38 Synonym: 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,3,3',4',5,7-Pentahydroxyflavone 3-β-D-glucofuranoside,Isoquercitrin,Isoquercitroside,Isotrifoliin,Quercetin 3-(β-D-glucofuranoside),Quercetin 3-O-β-D-glucofuranoside IUPAC Name: 3-[(2S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: OC[C@@H](O)[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)[C@H]1O

CAS 21637-25-2
Molecular Weight (g/mol) 464.38
SMILES OC[C@@H](O)[C@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)[C@H]1O
Synonym 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one,3,3',4',5,7-Pentahydroxyflavone 3-β-D-glucofuranoside,Isoquercitrin,Isoquercitroside,Isotrifoliin,Quercetin 3-(β-D-glucofuranoside),Quercetin 3-O-β-D-glucofuranoside
IUPAC Name 3-[(2S,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Molecular Formula C21 H20 O12
11

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

CAS 28608-75-5
Molecular Weight (g/mol) 448.38
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
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
Molecular Formula C21 H20 O11
12

SL0101, TRC

CAS: 77307-50-7 Molecular Formula: C25 H24 O12 Molecular Weight (g/mol): 516.45 Synonym: 4H-1-Benzopyran-4-one, 3-[(3,4-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-,3-[(3,4-Di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3' ',4' '-Di-O-acetylafzelin,Kaempferol 3-O-(3' ',4' '-di-O-acetyl-α-L-rhamnopyranoside),SL 0101,SL 0101-1 IUPAC Name: [(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate SMILES: C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](OC(=O)C)[C@H]1OC(=O)C

CAS 77307-50-7
Molecular Weight (g/mol) 516.45
SMILES C[C@@H]1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)[C@H](O)[C@H](OC(=O)C)[C@H]1OC(=O)C
Synonym 4H-1-Benzopyran-4-one, 3-[(3,4-di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-,3-[(3,4-Di-O-acetyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,3' ',4' '-Di-O-acetylafzelin,Kaempferol 3-O-(3' ',4' '-di-O-acetyl-α-L-rhamnopyranoside),SL 0101,SL 0101-1
IUPAC Name [(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Molecular Formula C25 H24 O12
13

Cimicoxib, TRC

CAS: 265114-23-6 Molecular Formula: C16 H13 Cl F N3 O3 S Molecular Weight (g/mol): 381.81 Synonym: 4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide,4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide,UR 8880 IUPAC Name: 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide SMILES: COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N

CAS 265114-23-6
Molecular Weight (g/mol) 381.81
SMILES COc1ccc(cc1F)c2c(Cl)ncn2c3ccc(cc3)S(=O)(=O)N
Synonym 4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide,4-[4-Chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide,UR 8880
IUPAC Name 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Molecular Formula C16 H13 Cl F N3 O3 S
14

Liquiritin, TRC

CAS: 551-15-5 Molecular Formula: C21 H22 O9 Molecular Weight (g/mol): 418.39 Synonym: 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-,4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (S)-,Liquiritin (6CI,7CI,8CI),(2S)-2-[4-(β-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one,4',7-Dihydroxyflavanone 4'-β-D-glucopyranoside,4',7-Dihydroxyflavanone 4'-β-D-glucoside,7-Hydroxyflavanone 4'-O-glucoside,Likviritin,Liquiritigenin 4'-β-D-glucopyranoside,Liquiritoside IUPAC Name: (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]3CC(=O)c4ccc(O)cc4O3)[C@H](O)[C@@H](O)[C@@H]1O

CAS 551-15-5
Molecular Weight (g/mol) 418.39
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]3CC(=O)c4ccc(O)cc4O3)[C@H](O)[C@@H](O)[C@@H]1O
Synonym 4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (2S)-,4H-1-Benzopyran-4-one, 2-[4-(β-D-glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-, (S)-,Liquiritin (6CI,7CI,8CI),(2S)-2-[4-(β-D-Glucopyranosyloxy)phenyl]-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one,4',7-Dihydroxyflavanone 4'-β-D-glucopyranoside,4',7-Dihydroxyflavanone 4'-β-D-glucoside,7-Hydroxyflavanone 4'-O-glucoside,Likviritin,Liquiritigenin 4'-β-D-glucopyranoside,Liquiritoside
IUPAC Name (2S)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Molecular Formula C21 H22 O9
15

Enocyanin, TRC

CAS: 11029-12-2 Molecular Formula: C27H31O16 Molecular Weight (g/mol): 611.53

CAS 11029-12-2
Molecular Weight (g/mol) 611.53
Molecular Formula C27H31O16