Molecule ID: 25201917

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4-oxochromen-8-olate

Description: The molecule is a flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of gossypetin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a gossypetin.

SMILES: O=c1c(O)c(-c2ccc([O-])c(O)c2)oc2c(O)c(O)cc(O)c12

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

InChI: InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H/p-1

Molecular Properties:
- Polar Surface Area: 151.0 Ų
- LogP: 2.5