Molecule ID: 70698100

IUPAC Name: (4aS,5S,8S,8aR)-8-(3-hydroxyprop-1-en-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Description: The molecule is a sesquiterpenoid isolated from the leaves of Eremophila mitchellii. It has a role as a plant metabolite. It is a carbobicyclic compound, a hydroxy monocarboxylic acid, an alpha,beta-unsaturated monocarboxylic acid and a member of octahydronaphthalenes.

SMILES: C=C(CO)[C@H]1CC[C@H](C)[C@@H]2CCC(C(=O)O)=C[C@@H]21

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

InChI: InChI=1S/C15H22O3/c1-9-3-5-13(10(2)8-16)14-7-11(15(17)18)4-6-12(9)14/h7,9,12-14,16H,2-6,8H2,1H3,(H,17,18)/t9-,12-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 3.1