Molecule ID: 46878517

IUPAC Name: 7-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-olate

Description: The molecule is the conjugate base of 3',4',5'-O-trimethyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3. It is a conjugate base of a 3',4',5'-O-trimethyltricetin.

SMILES: COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(OC)c1OC

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][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C]

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

Molecular Properties:
- Polar Surface Area: 97.3 Ų
- LogP: 2.1