Molecule ID: 25243884

IUPAC Name: 2-(5,7-dihydroxy-4-oxochromen-3-yl)-5-hydroxyphenolate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxygenistein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2'-hydroxygenistein.

SMILES: O=c1c(-c2ccc([O-])cc2O)coc2cc(O)cc(O)c12

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

InChI: InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 3.0