equol

Synonyms: "(S)-equol", "4',7-isoflavandiol", "(-)-equol", "(S)-3-(4-hydroxyphenyl)chroman-7-ol"

Source: equol is a metabolite produced by intestinal bacteria from the isoflavone, Daidzein, which occurs in soy beans.

Identifiers:

IUPAC Name: (3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CAS Number: 534-95-3
PubChem ID: 91469
InChiKey: ADFCQWZHKCXPAJ-GFCCVEGCSA-N
Canonical SMILES: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O

Structural Properties:

Molecular Formula: C₁₅H₁₄O₃
Molecular Weight: 242.270

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 18

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Nishihara T, Nishikawa J, Kanayama T, Dakeyama F, Saito K, Imagawa M, Takatori S, Kitagawa Y, Hori S, Utsumi H. 2000. Estrogenic activities of 517 chemicals by yeast two-hybrid assay. Journal of Health Science 46(4):282-298.