Molecule ID: 13817985

IUPAC Name: (3aR,5aS,8R,8aR,9aR)-8-hydroxy-8-methyl-1,5-dimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one

Description: The molecule is a sesquiterpene lactone that is the C-8 epimer of inuviscolide. It has been isolated from the aerial parts of Inula hupehensis. It has a role as an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, an organic heterotricyclic compound, a sesquiterpene lactone and a tertiary alcohol.

SMILES: C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O

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

InChI: InChI=1S/C15H20O3/c1-8-6-13-11(9(2)14(16)18-13)7-12-10(8)4-5-15(12,3)17/h10-13,17H,1-2,4-7H2,3H3/t10-,11-,12-,13-,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.8