Molecule ID: 25180898

IUPAC Name: 5,9-dihydroxy-8-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-f]chromen-10-one

Description: The molecule is an extended flavonoid that is 7-hydroxyflavonol with an additional hydroxy group at position 3', a 2,2-dimethyldihydropyrano ring fused to ring A across positions 5 and 6, and prenyl groups at positions 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. It is a 7-hydroxyflavonol, an organic heterotricyclic compound, an extended flavonoid, a trihydroxyflavone and a pyranochromane.

SMILES: CC(C)=CCc1ccc(-c2oc3c(CC=C(C)C)c(O)c4c(c3c(=O)c2O)OC(C)(C)CC4)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][C][=Branch1][N][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][O]

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

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 7.2