Molecule ID: 3012485

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

Description: The molecule is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 3', prenyl groups at positions 8 and 2' and a gem-dimethyl pyran ring fused across positions 4' and 5'. Isolated from Dendrolobium lanceolatum, it exhibits antimalarial activity. It has a role as a metabolite and an antimalarial. It is an extended flavonoid and a trihydroxyflavanone. It derives from a (2S)-flavanone.

SMILES: CC(C)=CCc1c([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc2c(c1O)OC(C)(C)C=C2

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

InChI: InChI=1S/C30H34O6/c1-16(2)7-9-19-21(13-18-11-12-30(5,6)36-28(18)27(19)34)25-15-24(33)26-23(32)14-22(31)20(29(26)35-25)10-8-17(3)4/h7-8,11-14,25,31-32,34H,9-10,15H2,1-6H3/t25-/m0/s1

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