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4',6,7-Trihydroxyisoflavone

CAT: 0572-TRC-T795360-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795360-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17817-31-1
Synonyms
Demethyltexasin; 6-Hydroxydaidzein; Desmethylglycitein; Soybean factor 2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1ccc(cc1)C2=COc3cc(O)c(O)cc3C2=O
Molecular Formula
C15 H10 O5
Molecular Weight
270.24
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
Additionnal Information
IUPAC name: 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6,7,4'-Trihydroxyisoflavone

4',6,7-trihydroxyisoflavone is a hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 6. It has a role as a metabolite, an EC 1.14.18.1 (tyrosinase) inhibitor, an anti-inflammatory agent, a PPARalpha agonist, a PPARgamma agonist and an antimutagen. It is functionally related to a daidzein.

CAS Number17817-31-1
PubChem CID5284649
IUPAC Name6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP2.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity410
SMILES
C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
InChIKey
GYLUFQJZYAJQDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7,4'-Trihydroxyisoflavone
CAS: 17817-31-1
CID: 5284649
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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