Molecule ID: 146026597

IUPAC Name: 3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-5-olate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3 It is a conjugate base of a prunetin.

SMILES: COc1cc(O)c2c(=O)c(-c3ccc([O-])cc3)coc2c1

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

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

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