Molecule ID: 54671720

IUPAC Name: (1R,7S,8S,11S,12S,13R,14R)-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 an organic heterotetracyclic compound and a sesquiterpene lactone.

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

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

InChI: InChI=1S/C15H20O2/c1-7-3-4-10-8(2)14-13-11(15(16)17-14)6-5-9(7)12(10)13/h6-10,12-14H,3-5H2,1-2H3/t7-,8+,9-,10+,12-,13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.6