Molecule ID: 54671805

IUPAC Name: (2R)-2-[(1S,4S,4aS,8aS)-7-(hydroxymethyl)-4-methyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propanoic 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 sesquiterpenoid, a hydroxy monocarboxylic acid, a carbobicyclic compound and a member of octahydronaphthalenes.

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

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

InChI: InChI=1S/C15H24O3/c1-9-3-5-13(10(2)15(17)18)14-7-11(8-16)4-6-12(9)14/h7,9-10,12-14,16H,3-6,8H2,1-2H3,(H,17,18)/t9-,10+,12-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 2.6