Molecule ID: 160153

IUPAC Name: (3aS,5aR,9R,9aS,9bS)-9-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

Description: The molecule is a sesquiterpene lactone isolated from Saussureae Radix and has been shown to exhibit inhibitory activity against melanogenesis. It has a role as a melanin synthesis inhibitor and a metabolite. It is an organic heterotricyclic compound, a sesquiterpene lactone and a tertiary alcohol.

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

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

InChI: InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.8