Molecule ID: 25201420

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-5-olate

Description: The molecule is an organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group. It is a conjugate base of a genistein.

SMILES: O=c1c(-c2ccc([O-])cc2)coc2cc(O)cc(O)c12

SELFIES: [O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O-1][C][=C][Ring1][#Branch1][=C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][Branch2]

InChI: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H/p-1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 2.8