Molecule ID: 86289353

IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4-oxochromen-5-olate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',5-dihydroxy-3,4',7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3',5-dihydroxy-3,4',7-trimethoxyflavone.

SMILES: COc1cc(O)c2c(=O)c(OC)c(-c3ccc(OC)c([O-])c3)oc2c1

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

InChI: InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3/p-1

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 3.2