Molecule ID: 46878516

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

Description: The molecule is the conjugate base of 3',5'-di-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',5'-di-O-methyltricetin.

SMILES: COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(OC)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][Ring1][O][C][=C][Ring2][Ring1][Branch1][O]

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

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: 2.3