Molecule ID: 138756175

IUPAC Name: 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-4-oxochromen-5-olate

Description: The molecule is a flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3',4',7-tetramethoxyflavone. The major species at pH 7.3. It is a conjugate base of a 5-hydroxy-3,3',4',7-tetramethoxyflavone.

SMILES: COc1cc([O-])c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1

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

InChI: InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3/p-1

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 3.6