Molecule ID: 11610052

IUPAC Name: 3-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one

Description: The molecule is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 5, 3' and 4' and a prenyl group at position 2'. Isolated from the roots of Psorothamnus arborescens, it exhibits antileishmanial activity. It has a role as a metabolite and an antileishmanial agent.

SMILES: CC(C)=CCc1c(-c2coc3cc(O)cc(O)c3c2=O)ccc(O)c1O

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

InChI: InChI=1S/C20H18O6/c1-10(2)3-4-13-12(5-6-15(22)19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 4.2