Molecule ID: 86289338

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

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

SMILES: COc1cc(O)c2c(=O)c(OC)c(-c3ccc([O-])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][#C][C][=C][C][=C][Branch1][C][O-1][C][Branch1][C][O][=C][Ring1][Branch2][O][C][Ring1][P][=C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 3.5