Molecule ID: 11736506

IUPAC Name: (3S,3aS,5R)-8-(hydroperoxymethyl)-3-methyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene

Description: The molecule is a guaiane sesquiterpenoid that is guaia-1(10),11-diene substituted by a alpha-hydroperoxy group at position 15. Isolated from Pogostemon cablin, it exhibits trypanocidal activity. It has a role as a metabolite and a trypanocidal drug.

SMILES: C=C(C)[C@@H]1CCC(COO)=C2CC[C@H](C)[C@@H]2C1

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

InChI: InChI=1S/C15H24O2/c1-10(2)12-5-6-13(9-17-16)14-7-4-11(3)15(14)8-12/h11-12,15-16H,1,4-9H2,2-3H3/t11-,12+,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 3.4