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Daidzein

CAT: 0127-BUP18351-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-BUP18351-03Size:5 g
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CAS Number
486-66-8
Synonyms
Isoflavone
Purity
=98%
Smiles
OC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O

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
Loading 3D structure...
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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