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: 242,2699

Pharmacophore Features:

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

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3D structure (.pdbqt)

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Toxicological Information

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.

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