Molecule ID: 86289330

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

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

SMILES: COc1ccc(-c2coc3cc([O-])ccc3c2=O)c(O)c1

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

InChI: InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 78.8 Ų
- LogP: 3.1