Molecule ID: 25203524

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

Description: The molecule is a flavonoid oxoanion that is the conjugate base of 4',5,7-trihydroxy-3'-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is a conjugate base of a 4',5,7-trihydroxy-3'-methoxyflavone.

SMILES: COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)ccc1O

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

InChI: InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 2.4