Molecule ID: 86290154

IUPAC Name: 6-methoxy-4-oxo-3-(2,4,5-trimethoxyphenyl)chromen-7-olate

Description: The molecule is a flavonoid oxoanion that is the conjugate base of dalnigrein, obtained by 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 dalnigrein.

SMILES: COc1cc2c(=O)c(-c3cc(OC)c(OC)cc3OC)coc2cc1[O-]

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

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

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 3.4