Molecule ID: 11736507

IUPAC Name: (1S,4R,7R,8aS)-4-hydroperoxy-1,4-dimethyl-7-prop-1-en-2-yl-2,5,6,7,8,8a-hexahydro-1H-azulene

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

SMILES: C=C(C)[C@@H]1CC[C@@](C)(OO)C2=CC[C@H](C)[C@@H]2C1

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

InChI: InChI=1S/C15H24O2/c1-10(2)12-7-8-15(4,17-16)14-6-5-11(3)13(14)9-12/h6,11-13,16H,1,5,7-9H2,2-4H3/t11-,12+,13-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 29.5 Ų
- LogP: 3.5