Molecule ID: 86289526

IUPAC Name: 6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-olate

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

SMILES: O=c1cc(-c2ccc([O-])cc2)oc2cc(O)c(O)c(O)c12

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

InChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H/p-1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.5