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Isoflavonoids

Isoflavonoids

Organic compounds that are isomers of flavonoids with a 3-phenylchromen-4-one backbone; also known as phytoestrogens.
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1 – 13 of 13 results
1

4',5,7-Trihydroxyisoflavone, 99+%, Thermo Scientific Chemicals

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
2

Daidzein, 98%, Thermo Scientific Chemicals

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

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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
3

5,7-Dihydroxy-4'-methoxyisoflavone, 98%, Thermo Scientific Chemicals

CAS: 491-80-5 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD00006839 InChI Key: WUADCCWRTIWANL-UHFFFAOYSA-N Synonym: biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl PubChem CID: 5280373 ChEBI: CHEBI:17574 IUPAC Name: 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O

PubChem CID 5280373
CAS 491-80-5
Molecular Weight (g/mol) 284.27
ChEBI CHEBI:17574
MDL Number MFCD00006839
SMILES COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Synonym biochanin a,biochanin,4'-methylgenistein,5,7-dihydroxy-4'-methoxyisoflavone,5,7-dihydroxy-3-4-methoxyphenyl-4h-chromen-4-one,genistein 4-methyl ether,pratensol,biochanine a,5,7-dihydrox-4'-methoxyisoflavone,4h-1-benzopyran-4-one, 5,7-dihydroxy-3-4-methoxyphenyl
IUPAC Name 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key WUADCCWRTIWANL-UHFFFAOYSA-N
Molecular Formula C16H12O5
4

Daidzin, 98%, Thermo Scientific Chemicals

CAS: 552-66-9 Molecular Formula: C21H20O9 Molecular Weight (g/mol): 416.38 MDL Number: MFCD00017466 InChI Key: KYQZWONCHDNPDP-QNDFHXLGSA-N Synonym: daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside PubChem CID: 107971 ChEBI: CHEBI:42202 IUPAC Name: 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](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

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PubChem CID 107971
CAS 552-66-9
Molecular Weight (g/mol) 416.38
ChEBI CHEBI:42202
MDL Number MFCD00017466
SMILES OC[C@H]1O[C@@H](OC2=CC=C3C(=O)C(=COC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym daidzin,daidzoside,daidzein 7-o-glucoside,daidzein 7-glucoside,daidzein-7-glucoside,daidzein 7-o-beta-d-glucoside,unii-4r2x91a5m5,daidzein-7-o-glucoside,7-beta-d-glucopyranosyloxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,7-o-b-d-glucopyranoside
IUPAC Name 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
InChI Key KYQZWONCHDNPDP-QNDFHXLGSA-N
Molecular Formula C21H20O9
5

Genistin, 99+%, Thermo Scientific Chemicals

CAS: 529-59-9 Molecular Formula: C21H20O10 Molecular Weight (g/mol): 432.381 MDL Number: MFCD00016883 InChI Key: ZCOLJUOHXJRHDI-CMWLGVBASA-N Synonym: genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside PubChem CID: 5281377 ChEBI: CHEBI:27514 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: C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O

PubChem CID 5281377
CAS 529-59-9
Molecular Weight (g/mol) 432.381
ChEBI CHEBI:27514
MDL Number MFCD00016883
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
Synonym genistin,genistine,genisteol 7-monoglucoside,genistoside,genistein 7-glucoside,glucosyl-7-genistein,genistein 7-o-beta-d-glucoside,unii-1pog3scn5t,genistein glucoside,genistein-7-glucoside
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
InChI Key ZCOLJUOHXJRHDI-CMWLGVBASA-N
Molecular Formula C21H20O10
6

4',7-Dihydroxyisoflavone, 98+%, Thermo Scientific Chemicals

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 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) 254.241
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
7

4',7-Dihydroxyisoflavone, 97%, Thermo Scientific Chemicals

CAS: 486-66-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.241 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) 254.241
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
8

(+/-)-Equol, Thermo Scientific Chemicals

CAS: 94105-90-5 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.27 MDL Number: MFCD00016662 InChI Key: ADFCQWZHKCXPAJ-UHFFFAOYNA-N Synonym: 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol PubChem CID: 382975 IUPAC Name: 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol SMILES: OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2

PubChem CID 382975
CAS 94105-90-5
Molecular Weight (g/mol) 242.27
MDL Number MFCD00016662
SMILES OC1=CC=C(C=C1)C1COC2=C(C1)C=CC(O)=C2
Synonym 3-4-hydroxyphenyl chroman-7-ol,equol,+/--equol,r,s-equol,7,4'-homoisoflavane,4',7-dihydroxyisoflavane,rs-equol,3-4-hydroxyphenyl-7-chromanol,2h-1-benzopyran-7-ol, 3,4-dihydro-3-4-hydroxyphenyl,4',7-isoflavandiol
IUPAC Name 3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
InChI Key ADFCQWZHKCXPAJ-UHFFFAOYNA-N
Molecular Formula C15H14O3
9

Genistein, 99%, synthetic, Thermo Scientific Chemicals

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
10

7-Hydroxy-4'-nitroisoflavone, 98%, Thermo Scientific™

CAS: 15485-80-0 Molecular Formula: C15H9NO5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD01546432 InChI Key: CEESSYSSRMOMDE-UHFFFAOYSA-N Synonym: 7-hydroxy-4'-nitroisoflavone,7-hydroxy-3-4-nitrophenyl-4h-chromen-4-one,7-hydroxy-3-4-nitrophenyl chromen-4-one,7-hydroxy-3-4-nitrophenyl-4h-1-benzopyran-4-one,7-hydroxy-4-nitroisoflavone,7-hydroxy-4/'-nitroisoflavone,7-hydroxy-4'-nitro-isoflavone 3c PubChem CID: 7454026 IUPAC Name: 7-hydroxy-3-(4-nitrophenyl)chromen-4-one SMILES: OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 7454026
CAS 15485-80-0
Molecular Weight (g/mol) 283.24
MDL Number MFCD01546432
SMILES OC1=CC=C2C(=O)C(=COC2=C1)C1=CC=C(C=C1)[N+]([O-])=O
Synonym 7-hydroxy-4'-nitroisoflavone,7-hydroxy-3-4-nitrophenyl-4h-chromen-4-one,7-hydroxy-3-4-nitrophenyl chromen-4-one,7-hydroxy-3-4-nitrophenyl-4h-1-benzopyran-4-one,7-hydroxy-4-nitroisoflavone,7-hydroxy-4/'-nitroisoflavone,7-hydroxy-4'-nitro-isoflavone 3c
IUPAC Name 7-hydroxy-3-(4-nitrophenyl)chromen-4-one
InChI Key CEESSYSSRMOMDE-UHFFFAOYSA-N
Molecular Formula C15H9NO5
12

Genistein, Tocris Bioscience™

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)-4H-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)-4H-chromen-4-one
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
13

Melford Daidzein

Inactive analog of Genistein.

CAS 486-66-8
Molecular Formula C15H10O4