(±)-Equol

Equol is a nonsteroidal estrogen produced from the metabolism of the isoflavonoid phytoestrogen daidzein by human intestinal microflora. The estrogen receptor (ER) binding activity of the naturally occurring (S)-enantiomer demonstrates greater affinity toward ERbeta while the (R)-enantiomer demonstrates greater affinity towards ERalpha. Synthesized as a racemic mixture, (±)-equol exhibits EC50 values of 200 and 74 nM for human ERalpha and ERbeta, respectively and induces breast cancer cell proliferation in vitro at concentrations as low as 100 nM.Formal Name: 3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol. CAS Number: 94105-90-5. Molecular Formula: C15H14O3. Formula Weight: 242.3. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMSO: 20 mg/ml, Ethanol: 20 mg/ml, Ethanol:PBS (pH 7.2) (1:10): 0.1 mg/ml. lambdamax: 206, 225, 281 nm. SMILES: OC1=CC=C(CC(C2=CC=C(O)C=C2)CO3)C3=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. InChi Key: ADFCQWZHKCXPAJ-UHFFFAOYSA-N.