Molecule ID: 25147638

IUPAC Name: 3,5,7-trihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-6,8-bis(3-methylbut-2-enyl)chromen-4-one

Description: The molecule is a 7-hydroxyflavonol substituted by additional hydroxy groups at positions 5 and 3' and prenyl groups at positions 6, 8 and 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. It has a role as a metabolite and an EC 3.2.1.20 (alpha-glucosidase) inhibitor.

SMILES: CC(C)=CCc1ccc(-c2oc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3c(=O)c2O)cc1O

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

InChI: InChI=1S/C30H34O6/c1-16(2)7-10-19-11-12-20(15-23(19)31)29-28(35)27(34)24-26(33)21(13-8-17(3)4)25(32)22(30(24)36-29)14-9-18(5)6/h7-9,11-12,15,31-33,35H,10,13-14H2,1-6H3

Molecular Properties:
- Polar Surface Area: 107.0 Ų
- LogP: 8.3