Molecule ID: 54671717

IUPAC Name: (1R,3aS,5R,5aS,8aR,9S,9aS)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,7-b]furan-2,8-dione

Description: The molecule is a pseudoguaianolide with anti-inflammatory activity 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, a cyclic ketone, an organic heterotricyclic compound, a pseudoguaianolide and a secondary alcohol.

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

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

InChI: InChI=1S/C15H22O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7-10,12-13,17H,4-6H2,1-3H3/t7-,8-,9+,10+,12-,13+,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 63.6 Ų
- LogP: 1.5