Molecule ID: 54671719

IUPAC Name: (1R,7R,8R,11S,12S,13R,14R)-8-hydroxy-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-4-en-3-one

Description: The molecule is a sesquiterpene lactone isolated from the leaves of Eremophila mitchellii. It has a role as a plant metabolite. It is a sesquiterpene lactone, an organic heterotetracyclic compound and a tertiary alcohol.

SMILES: C[C@@H]1[C@H]2CC[C@@](C)(O)[C@@H]3CC=C4C(=O)O[C@H]1[C@@H]4[C@H]23

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

InChI: InChI=1S/C15H20O3/c1-7-8-5-6-15(2,17)10-4-3-9-12(11(8)10)13(7)18-14(9)16/h3,7-8,10-13,17H,4-6H2,1-2H3/t7-,8-,10-,11-,12+,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.0