Molecule ID: 5315393

IUPAC Name: 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one

Description: The molecule is an extended flavonoid that is 2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and a 2-hydroxy-3-methylbut-3-en-1-yl group at position 8'. Isolated from Epimedium sagittatum, it exhibits inhibitory activity against platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a dihydroxyflavone, an extended flavonoid and a secondary alcohol.

SMILES: C=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc2c1OC(C)(C)C=C2

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

InChI: InChI=1S/C25H24O6/c1-13(2)18(27)9-16-8-15(7-14-5-6-25(3,4)31-24(14)16)21-12-20(29)23-19(28)10-17(26)11-22(23)30-21/h5-8,10-12,18,26-28H,1,9H2,2-4H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 4.8