Molecule ID: 86289363

IUPAC Name: 5-hydroxy-2-(7-hydroxy-4-oxochromen-3-yl)phenolate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of 2'-hydroxydaidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an anti-inflammatory agent. It is a conjugate base of a 2'-hydroxydaidzein.

SMILES: O=c1c(-c2ccc([O-])cc2O)coc2cc(O)ccc12

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][=C][Ring2][Ring1][Ring1][Ring1][#Branch1]

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

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