Molecule ID: 25202270

IUPAC Name: 4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxyphenolate

Description: The molecule is the conjugate base of 3',4',5,7-tetrahydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is a conjugate base of a 3',4',5,7-tetrahydroxy-3-methoxyflavone.

SMILES: COc1c(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O)c2c1=O

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

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

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 3.1