Molecule ID: 5281947

IUPAC Name: 5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one

Description: The molecule is a 7-hydroxyflavonol that is 3-O-methylgalangin substituted by a prenyl group at position 8. It is a 7-hydroxyflavonol, a dihydroxyflavone and a monomethoxyflavone. It derives from a galangin.

SMILES: COc1c(-c2ccccc2)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O

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

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

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 5.1