Molecule ID: 46878515

IUPAC Name: 4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxy-6-methoxyphenolate

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

SMILES: COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(O)c1O

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

InChI: InChI=1S/C16H12O7/c1-22-14-3-7(2-11(20)16(14)21)12-6-10(19)15-9(18)4-8(17)5-13(15)23-12/h2-6,17-18,20-21H,1H3/p-1

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 2.0