Molecule ID: 54671714

IUPAC Name: (3aR,4S,6R,6aR,9aR,9bS)-4-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione

Description: The molecule is a pseudoguaianolide isolated from the aerial parts of Inula hupehensis. It has a role as a plant metabolite and an anti-inflammatory agent. It is a pseudoguaianolide, a gamma-lactone, an organic heterotricyclic compound, a cyclic ketone and a secondary alcohol.

SMILES: C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@H](C)[C@@H]1C=CC(=O)[C@]12C

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

InChI: InChI=1S/C15H18O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h4-5,7,9-10,12-13,16H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.4