Molecule ID: 86290153

IUPAC Name: 6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-oxochromen-7-olate

Description: The molecule is a flavonoid oxoanion that is the conjugate base of dalpatein, 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 dalpatein.

SMILES: COc1cc2c(=O)c(-c3cc4c(cc3OC)OCO4)coc2cc1[O-]

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

InChI: InChI=1S/C18H14O7/c1-21-13-6-17-16(24-8-25-17)3-9(13)11-7-23-14-5-12(19)15(22-2)4-10(14)18(11)20/h3-7,19H,8H2,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: 3.2