Molecule ID: 68827

IUPAC Name: (1R,4S,5R,8S,9R,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

Description: The molecule is a sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial and a plant metabolite. It is a sesquiterpene lactone and an organic peroxide.

SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4

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

InChI: InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 54.0 Ų
- LogP: 2.8