Molecule ID: 25181116

IUPAC Name: 3,5,7-trihydroxy-2-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-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', prenyl groups at positions 6 and 8 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 7-hydroxyflavonol and a tetrahydroxyflavone.

SMILES: C=C(C)[C@@H](O)Cc1ccc(-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@@H1][Branch1][C][O][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/C30H34O7/c1-15(2)7-11-20-25(33)21(12-8-16(3)4)30-24(26(20)34)27(35)28(36)29(37-30)19-10-9-18(23(32)14-19)13-22(31)17(5)6/h7-10,14,22,31-34,36H,5,11-13H2,1-4,6H3/t22-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: 7.3