Molecule ID: 50941544

IUPAC Name: (3aS,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8-dimethyl-1-methylidene-3a,4,7,8a,9,9a-hexahydroazuleno[6,5-b]furan-2-one

Description: The molecule is a guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has a role as a metabolite, an anti-inflammatory agent and a plant metabolite. It is a guaiane sesquiterpenoid, a gamma-lactone, an organic heterotricyclic compound and a tertiary alcohol.

SMILES: C=C1C(=O)O[C@H]2C[C@@](C)(O)C3=CC[C@](C)(O)[C@@H]3C[C@H]12

SELFIES: [C][=C][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C][=C][C][C@][Branch1][C][C][Branch1][C][O][C@@H1][Ring1][#Branch1][C][C@H1][Ring2][Ring1][C][Ring1][=C]

InChI: InChI=1S/C15H20O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11-,12+,14+,15-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 0.5