Molecule ID: 5281950

IUPAC Name: 3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)-2-phenylchromen-4-one

Description: The molecule is a trihydroxyflavone that is galangin substituted by a 1,1-dimethylallyl moiety at position 8. It is isolated from the buds of Platanus acerifolia. It is a trihydroxyflavone and a member of flavonols. It derives from a galangin.

SMILES: C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12

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

InChI: InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 4.8