Molecule ID: 46878558

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

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

SMILES: O=c1cc(-c2cc(O)c(O)c(O)c2)oc2cc([O-])cc(O)c12

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

InChI: InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H/p-1

Molecular Properties:
- Polar Surface Area: 130.0 Ų
- LogP: 1.7