Molecule ID: 11739635

IUPAC Name: 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]chromen-4-one

Description: The molecule is a member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has a role as a metabolite, an antimicrobial agent and a radical scavenger. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones.

SMILES: COc1c(O)cc(-c2coc3cc(O)ccc3c2=O)cc1CC=C(C)C

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

InChI: InChI=1S/C21H20O5/c1-12(2)4-5-13-8-14(9-18(23)21(13)25-3)17-11-26-19-10-15(22)6-7-16(19)20(17)24/h4,6-11,22-23H,5H2,1-3H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 4.4