Molecule ID: 25178184

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

Description: The molecule is an extended flavonoid that is flavonol with additional hydroxy groups at position 5 and 3', a 2,2-dimethyldihydropyrano ring fused to ring A across positions 7 and 8, a prenyl group at position 6 and a (2S)-2-hydroxy-3-methylbut-3-en-1-yl 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 a member of flavonols, an extended flavonoid, a trihydroxyflavone and a pyranochromane.

SMILES: C=C(C)[C@@H](O)Cc1ccc(-c2oc3c4c(c(CC=C(C)C)c(O)c3c(=O)c2O)OC(C)(C)CC4)cc1O

SELFIES: [C][=C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring2][#C][C][O][C][=C][C][=Branch2][Ring1][#Branch2][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring1][P][O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C][O]

InChI: InChI=1S/C30H34O7/c1-15(2)7-10-19-24(33)23-25(34)26(35)27(36-29(23)20-11-12-30(5,6)37-28(19)20)18-9-8-17(22(32)14-18)13-21(31)16(3)4/h7-9,14,21,31-33,35H,3,10-13H2,1-2,4-6H3/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 6.7