(S)-Equol

(S)-Equol is an agonist of estrogen receptor alpha (ERalpha) and ERbeta and an active metabolite of the polyketide isoflavone daidzein (Cay-10005166). It is formed from daidzein by gut microbiota. (S)-Equol induces ERalpha-and ERbeta-mediated gene transcription in HEC-1 cells expressing the human receptors in a reporter assay (EC50s = 85 and 65 nM, respectively).Formal Name: (S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol. CAS Number: 531-95-3. Synonyms: 4',7-Dihydroxyisoflavan, (-)-Equol, 4',7-Isoflavandiol. Molecular Formula: C15H14O3. Formula Weight: 242.3. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 15 mg/ml, DMSO: 20 mg/ml, Ethanol: 20 mg/ml, Ethanol:PBS (pH 7.2) (1:10): 0.1 mg/ml. lambdamax: 225, 283 nm. SMILES: OC1=CC=C2C(OC[C@H](C3=CC=C(O)C=C3)C2)=C1. InChi Code: InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1. InChi Key: ADFCQWZHKCXPAJ-GFCCVEGCSA-N.