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Isoflavonoids

Organic compounds that are isomers of flavonoids with a 3-phenylchromen-4-one backbone; also known as phytoestrogens.

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1 – 15 of 22 results
1

Daidzein, 98%

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00016954 InChI Key: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Synonym: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O

PubChem CID 5281708
CAS 486-66-8
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:28197
MDL Number MFCD00016954
SMILES C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
Synonym daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Molecular Formula C15H10O4
2

Genistein, 99%, synthetic

CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280961
CAS 446-72-0
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:28088
MDL Number MFCD00016952
SMILES OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein
IUPAC Name 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
3

Dihydroformononetin, TRC

CAS: 4626-22-6 Molecular Formula: C16 H14 O4 Molecular Weight (g/mol): 270.281 IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)chroman-4-one SMILES: COc1ccc(cc1)C2COc3cc(O)ccc3C2=O

CAS 4626-22-6
Molecular Weight (g/mol) 270.281
SMILES COc1ccc(cc1)C2COc3cc(O)ccc3C2=O
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)chroman-4-one
Molecular Formula C16 H14 O4
4

Formononetin, TRC

CAS: 485-72-3 Molecular Formula: C16 H12 O4 Molecular Weight (g/mol): 268.26 Synonym: Formononetin,Formononetin IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O

CAS 485-72-3
Molecular Weight (g/mol) 268.26
SMILES COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O
Synonym Formononetin,Formononetin
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
Molecular Formula C16 H12 O4
6

Formononetin 7-O-Beta-D-Glucuronide, TRC

CAS: 18524-03-3 Molecular Formula: C22 H20 O10 Molecular Weight (g/mol): 444.39 Synonym: 3-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid,3-(p-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid,Formononetin Glucuronide,Formononetin-7-O-Glucuronide SMILES: COc1ccc(cc1)C2=COc3cc(O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@@H]4O)C(=O)O)ccc3C2=O

CAS 18524-03-3
Molecular Weight (g/mol) 444.39
SMILES COc1ccc(cc1)C2=COc3cc(O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@@H]4O)C(=O)O)ccc3C2=O
Synonym 3-(4-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid,3-(p-Methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid,Formononetin Glucuronide,Formononetin-7-O-Glucuronide
Molecular Formula C22 H20 O10
7

Glycitin, TRC

CAS: 40246-10-4 Molecular Formula: C22 H22 O10 Molecular Weight (g/mol): 446.4 Synonym: 7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one,Glycitein 7-O-glucoside,Glycitein 7-O-β-glucoside,Glycitein-7-β-O-glucoside,Glycitin IUPAC Name: 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: COc1cc2C(=O)C(=COc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4

CAS 40246-10-4
Molecular Weight (g/mol) 446.4
SMILES COc1cc2C(=O)C(=COc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4
Synonym 7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one,Glycitein 7-O-glucoside,Glycitein 7-O-β-glucoside,Glycitein-7-β-O-glucoside,Glycitin
IUPAC Name 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula C22 H22 O10
9

Puerarin, TRC

CAS: 3681-99-0 Molecular Formula: C21 H20 O9 Molecular Weight (g/mol): 416.38 Synonym: 4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-,Puerarin (6CI,7CI,8CI),8-β-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,Daidzein 8-C-glucoside,Kakonein,NPI 031G IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-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)ccc3C(=O)C(=COc23)c4ccc(O)cc4

CAS 3681-99-0
Molecular Weight (g/mol) 416.38
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)ccc3C(=O)C(=COc23)c4ccc(O)cc4
Synonym 4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-,Puerarin (6CI,7CI,8CI),8-β-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,Daidzein 8-C-glucoside,Kakonein,NPI 031G
IUPAC Name 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Formula C21 H20 O9
10

Genistein 4'-beta-D-glucopyranoside, TRC

CAS: 152-95-4 Molecular Formula: C21 H20 O10 Molecular Weight (g/mol): 432.38 Synonym: 4H-1-Benzopyran-4-one, 3-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-,Sophoricoside (6CI,7CI,8CI),3-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one,4',5,7-Trihydroxyisoflavone 4'-β-D-glucopyranoside,5',7'-Dihydroxy-4'-glucosyloxyisoflavone,Genistein 4'-O-glucoside,Genistein, 4'-β-D-glucopyranoside IUPAC Name: 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)C3=COc4cc(O)cc(O)c4C3=O)[C@H](O)[C@@H](O)[C@@H]1O

CAS 152-95-4
Molecular Weight (g/mol) 432.38
SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)C3=COc4cc(O)cc(O)c4C3=O)[C@H](O)[C@@H](O)[C@@H]1O
Synonym 4H-1-Benzopyran-4-one, 3-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-,Sophoricoside (6CI,7CI,8CI),3-[4-(β-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one,4',5,7-Trihydroxyisoflavone 4'-β-D-glucopyranoside,5',7'-Dihydroxy-4'-glucosyloxyisoflavone,Genistein 4'-O-glucoside,Genistein, 4'-β-D-glucopyranoside
IUPAC Name 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Molecular Formula C21 H20 O10
11

3'-Hydroxypuerarin, TRC

CAS: 117060-54-5 Molecular Formula: C21 H20 O10 Molecular Weight (g/mol): 432.38 Synonym: 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-8-β-D-glucopyranosyl-7-hydroxy-,3-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-7-hydroxy-4H-1-benzopyran-4-one,3'-Hydroxypuerarin,8-C-Glucosyl-7,3',4'-trihydroxyisoflavone,NPI 031H,PG 1 IUPAC Name: 3-(3,4-dihydroxyphenyl)-7-hydroxy-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)ccc3C(=O)C(=COc23)c4ccc(O)c(O)c4

CAS 117060-54-5
Molecular Weight (g/mol) 432.38
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)ccc3C(=O)C(=COc23)c4ccc(O)c(O)c4
Synonym 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-8-β-D-glucopyranosyl-7-hydroxy-,3-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-7-hydroxy-4H-1-benzopyran-4-one,3'-Hydroxypuerarin,8-C-Glucosyl-7,3',4'-trihydroxyisoflavone,NPI 031H,PG 1
IUPAC Name 3-(3,4-dihydroxyphenyl)-7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Formula C21 H20 O10
13

5’-Hydroxyequol, TRC

CAS: 65998-44-9 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.27 Synonym: Isoflavan-4',5,7-triol,3,4-dihydro-3-(4-Hydroxyphenyl)-2H-1-benzopyran-5,7-diol,3-(4-Hydroxyphenyl)chroman-5,7-diol SMILES: OC(C=C1)=CC=C1C2CC3=C(O)C=C(O)C=C3OC2

CAS 65998-44-9
Molecular Weight (g/mol) 258.27
SMILES OC(C=C1)=CC=C1C2CC3=C(O)C=C(O)C=C3OC2
Synonym Isoflavan-4',5,7-triol,3,4-dihydro-3-(4-Hydroxyphenyl)-2H-1-benzopyran-5,7-diol,3-(4-Hydroxyphenyl)chroman-5,7-diol
Molecular Formula C15H14O4
14

Genistin, TRC

CAS: 529-59-9 Molecular Formula: C21 H20 O10 Molecular Weight (g/mol): 432.38 Synonym: 7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,Genistin (6CI,7CI,8CI),7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,4',5,7-Trihydroxyisoflavone 7-β-D-glucopyranoside,5,4'-Di-hydroxyisoflavone-7-O-β-D-glucopyranoside,Genistein 7-O-glucoside,Genistein 7-O-β-D-glucopyranoside,Genistein 7-O-β-D-glucoside,Genistein 7-O-β-glucoside,Genistein, 7-β-D-glucopyranoside,Genisteol 7-monoglucoside,Genistine,Genistoside,NSC 5112 IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one SMILES: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O

CAS 529-59-9
Molecular Weight (g/mol) 432.38
SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
Synonym 7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,Genistin (6CI,7CI,8CI),7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,4',5,7-Trihydroxyisoflavone 7-β-D-glucopyranoside,5,4'-Di-hydroxyisoflavone-7-O-β-D-glucopyranoside,Genistein 7-O-glucoside,Genistein 7-O-β-D-glucopyranoside,Genistein 7-O-β-D-glucoside,Genistein 7-O-β-glucoside,Genistein, 7-β-D-glucopyranoside,Genisteol 7-monoglucoside,Genistine,Genistoside,NSC 5112
IUPAC Name 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Formula C21 H20 O10
15

(R,S)-Equol 4’-Sulfate Sodium Salt (90%), TRC

CAS: 1189685-28-6 Molecular Formula: C15 H13 O6 S . Na Molecular Weight (g/mol): 344.31 Synonym: 3,4-Dihydro-3-[4-(sulfooxy)phenyl]-2H-1-benzopyran-7-ol Sodium Salt; IUPAC Name: sodium;[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate SMILES: [Na+].Oc1ccc2CC(COc2c1)c3ccc(OS(=O)(=O)[O-])cc3

CAS 1189685-28-6
Molecular Weight (g/mol) 344.31
SMILES [Na+].Oc1ccc2CC(COc2c1)c3ccc(OS(=O)(=O)[O-])cc3
Synonym 3,4-Dihydro-3-[4-(sulfooxy)phenyl]-2H-1-benzopyran-7-ol Sodium Salt;
IUPAC Name sodium;[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] sulfate
Molecular Formula C15 H13 O6 S . Na