Molecule ID: 54671803

IUPAC Name: (1R,4R,7R,8S,11S,12R,13S,14R)-4-hydroxy-8,14-dimethyl-2-oxatetracyclo[9.2.1.04,13.07,12]tetradec-5-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 tertiary alcohol, an organic heterotetracyclic compound and a sesquiterpene lactone.

SMILES: C[C@@H]1[C@H]2CC[C@H](C)[C@@H]3C=C[C@]4(O)C(=O)O[C@H]1[C@@H]4[C@@H]32

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

InChI: InChI=1S/C15H20O3/c1-7-3-4-10-8(2)13-12-11(10)9(7)5-6-15(12,17)14(16)18-13/h5-13,17H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,13+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.8