Molecule ID: 86289525

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

Description: The molecule is a flavonoid oxoanion that is the conjugate base of pseudobaptigenin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as an antiprotozoal drug and a plant metabolite. It is a conjugate base of a pseudobaptigenin.

SMILES: O=c1c(-c2ccc3c(c2)OCO3)coc2cc([O-])ccc12

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

InChI: InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2/p-1

Molecular Properties:
- Polar Surface Area: 67.8 Ų
- LogP: 3.3