Molecule ID: 70697833

IUPAC Name: (1S,2S,13R,15R)-8-hydroxy-13-methoxy-17,17-dimethyl-15-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione

Description: The molecule is a polycyclic cage that is a prenylated-caged xanthone isolated from Cratoxylum cochinchinense and has been shown to exhibit antimalarial and antioxidant activities. It has a role as a metabolite, an antioxidant and an antimalarial. It is a polycyclic cage, a member of phenols, a cyclic ketone and a cyclic ether.

SMILES: CO[C@@]12C=C3C(=O)c4c(O)cccc4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(CC=C(C)C)C2=O

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

InChI: InChI=1S/C24H26O6/c1-13(2)9-10-23-20(27)22(28-5)11-14-19(26)18-15(25)7-6-8-16(18)29-24(14,23)17(12-22)21(3,4)30-23/h6-9,11,17,25H,10,12H2,1-5H3/t17-,22-,23-,24+/m0/s1

Molecular Properties:
- Polar Surface Area: 82.1 Ų
- LogP: 3.6