daidzein

Ligand id: 2828

Name: daidzein

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.76
Molecular weight 254.06
XLogP 2.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
Synonyms
7,4'-dihydroxyisoflavone
Database Links
BindingDB Ligand 23420
CAS Registry No. 486-66-8 (source: Scifinder)
ChEBI CHEBI:28197
ChEMBL Ligand CHEMBL8145
GtoPdb PubChem SID 135649858
NURSA Ligand 10.1621/IPLF9AY27L
PubChem CID 5281708
Search Google for chemical match using the InChIKey ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZQSIJRDFPHDXIC
Search UniChem for chemical match using the InChIKey ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZQSIJRDFPHDXIC
Wikipedia Daidzein
Comments
Daidzein is a soy phytoestrogen, which is metabolised to S-equol (PubChem CID 91469), an estrogen-like compound, in the presence of requisite gut flora. Daidzein may have beneficial health effects [1].