Molecule ID: 5281949

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

Description: The molecule is a 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8. It has a role as a plant metabolite. It is a 7-hydroxyflavonol, a monomethoxyflavone and a trihydroxyflavone. It derives from a kaempferide.

SMILES: C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)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][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][Ring2][Ring1][=Branch1][=Ring1][S]

InChI: InChI=1S/C21H20O6/c1-5-21(2,3)16-14(23)10-13(22)15-17(24)18(25)19(27-20(15)16)11-6-8-12(26-4)9-7-11/h5-10,22-23,25H,1H2,2-4H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 4.8