Molecule ID: 5319013

IUPAC Name: 7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one

Description: The molecule is a hydroxyisoflavone which is isoflavone substituted by hydroxy groups at positions 7 and 6', methoxy groups at positions 2' and 4' and a prenyl group at position 3'. It has been isolated from Glycyrrhiza uralensis. It has a role as a plant metabolite and an antibacterial agent. It is a hydroxyisoflavone and a member of 4'-methoxyisoflavones. It derives from an isoflavone.

SMILES: COc1cc(O)c(-c2coc3cc(O)ccc3c2=O)c(OC)c1CC=C(C)C

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

InChI: InChI=1S/C22H22O6/c1-12(2)5-7-15-18(26-3)10-17(24)20(22(15)27-4)16-11-28-19-9-13(23)6-8-14(19)21(16)25/h5-6,8-11,23-24H,7H2,1-4H3

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 4.3