Molecule ID: 25178185

IUPAC Name: 5-hydroxy-4-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13-tetraen-6-one

Description: The molecule is an extended flavonoid that is flavonol with an additional hydroxy group at position 3', two 2,2-dimethyldihydropyrano rings fused to ring A across positions 5, 6 and 7, 8 respectively and a prenyl group at position 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 an extended flavonoid, a member of flavonols and an organic heterotetracyclic compound.

SMILES: CC(C)=CCc1ccc(-c2oc3c4c(c5c(c3c(=O)c2O)OC(C)(C)CC5)OC(C)(C)CC4)cc1O

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

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

Molecular Properties:
- Polar Surface Area: 85.2 Ų
- LogP: 6.6