Molecule ID: 94275

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

Description: The molecule is a carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R enantiomer). It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a sesquiterpene and a carbobicyclic compound.

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

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

InChI: InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.6