Molecule ID: 71296130

IUPAC Name: 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,3,4a,8a-tetrahydrochromen-4-one

Description: The molecule is a hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy substituent at position 2' and a prenyl group at position 3'. It has a role as an antimicrobial agent, a cyclooxygenase 1 inhibitor and a metabolite. It is a hydroxyisoflavanone and a methoxyisoflavanone.

SMILES: COc1c(C2COC3C=C(O)C=C(O)C3C2=O)ccc(O)c1CC=C(C)C

SELFIES: [C][O][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][C][C][=C][Branch1][C][C][C]

InChI: InChI=1S/C21H24O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,18-19,22-24H,5,10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 2.8