Molecule ID: 5281948

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

Description: The molecule is a 7-hydroxyflavonol that is 3-methylgalangin substituted by a 1,1-dimethylallyl group at position 8. It is a 7-hydroxyflavonol, a dihydroxyflavone and a monomethoxyflavone. It derives from a galangin.

SMILES: C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(OC)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][Ring1][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring2][Ring1][Branch1][=Ring1][#C]

InChI: InChI=1S/C21H20O5/c1-5-21(2,3)16-14(23)11-13(22)15-17(24)20(25-4)18(26-19(15)16)12-9-7-6-8-10-12/h5-11,22-23H,1H2,2-4H3

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