s-equol Report issue

Small molecule Experimental
AACT ChEMBL DrugBank PubChem

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Chemistry

Mol. Mass

242.27

ALogP

2.82

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1
  • InChIKey: ADFCQWZHKCXPAJ-GFCCVEGCSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL198877   ChEMBL
aus-131

Equol   Wikipedia

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