Molecule ID: 5281779

IUPAC Name: 9-hydroxy-7-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one

Description: The molecule is a hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'. It has a role as an immunomodulator, an antineoplastic agent and a metabolite. It is a hydroxyisoflavone, an oxacycle and an organic heterotricyclic compound.

SMILES: O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3

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

InChI: InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 2.8