Molecule ID: 443902

IUPAC Name: 2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is 2,3-dihydrogenistein with a hydroxy substituent at position 2. It derives from a genistein. It is a conjugate acid of a 2-hydroxy-2,3-dihydrogenistein-7-olate.

SMILES: O=C1c2c(O)cc(O)cc2OC(O)C1c1ccc(O)cc1

SELFIES: [O][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][Branch1][C][O][C][Ring1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,20H

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 2.0