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Daidzein

CAT: 0063-14964076-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0063-14964076-01Size:100 mg
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CAS Number
486-66-8

Chemical Information

Daidzein

Daidzein is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, an antineoplastic agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, a plant metabolite and a phytoestrogen. It is a conjugate acid of a daidzein(1-).

CAS Number486-66-8
PubChem CID5281708
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O4
Molecular Weight254.24
XLogP2.5
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity382
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
InChI
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
InChIKey
ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Daidzein
CAS: 486-66-8
CID: 5281708
Formula: C15H10O4
MW: 254.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass254.05790880
Monoisotopic Mass254.05790880
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
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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