Molecular Identity
531-95-3
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID: 91469
Equol is a member of hydroxyisoflavans.
2D Structure
Properties
C15H14O3
Molecular Formula
242.27
Molecular Weight
g/mol
242.0943
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
49.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
273
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
531-95-3Equol(S)-Equol(-)-(S)-Equol(-)-EquolS-Equol2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)-4',7-Dihydroxyisoflavan4',7-Isoflavandiol(S)-(-)-4',7-Isoflavandiol(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol2T6D2HPX7Q(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-olDTXSID0022309(3S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 531-95-3
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