daidzein   Click here for help

GtoPdb Ligand ID: 2828

Synonyms: 7,4'-dihydroxyisoflavone
PDB Ligand
Comment: 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].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 70.67
Molecular weight 254.06
XLogP 3.74
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O
Isomeric SMILES Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)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
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Molecular structure representations generated using Open Babel