Atractylenolide-I
IC50 Porcine pancreatic lipase microM 0.584 +/- 0.031 Competitive
General
Type : Natural, Terpenoid, Benzofuran
Chemical_Nomenclature : (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
Canonical SMILES : CC1=C2C[C@H]3C(=C)CCC[C@@]3(C=C2OC1=O)C
InChI : InChI=1S\/C15H18O2\/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13\/h8,12H,1,4-7H2,2-3H3\/t12-,15+\/m0\/s1
InChIKey : ZTVSGQPHMUYCRS-SWLSCSKDSA-N
Other name(s) : Atractylenolide I || ATR-I || DTXSID901316467 || 8,9-dehydroasterolide || SCHEMBL1898423
MW : 230.3
Formula : C15H18O2
CAS_number : 73069-13-3
PubChem : 5321018
UniChem : ZTVSGQPHMUYCRS-SWLSCSKDSA-N
Target
Families : Atractylenolide-I ligand of proteins in family
Pancreatic_lipase
Protein :
human-PNLIP
References (1)
| Title : Identification of Potential Pancreatic Lipase Inhibitors from Traditional Chinese Medicines via Molecular Docking, Molecular Dynamics Simulation and In Vitro Validation - Zhang_2026_Curr.Issues.Mol.Biol_48_404 |
| Author(s) : Zhang Z , Long J , Li T , Xu N , Xu Z , Wang Y , Chu M , Zhang M |
| Ref : Curr Issues Mol Biol , 48 :404 , 2026 |
| Abstract : |
| PubMedSearch : Zhang_2026_Curr.Issues.Mol.Biol_48_404 |
| PubMedID: 42042064 |