| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4102155
Max Phase: Preclinical
Molecular Formula: C14H20O4
Molecular Weight: 252.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(OC)C1=C[C@@]2(CC=C(C)C)C(=O)O[C@H]2C1
Standard InChI: InChI=1S/C14H20O4/c1-9(2)5-6-14-8-10(12(16-3)17-4)7-11(14)18-13(14)15/h5,8,11-12H,6-7H2,1-4H3/t11-,14+/m0/s1
Standard InChI Key: GACCQQMPKZGHGJ-SMDDNHRTSA-N
Associated Targets(Human)
Pancreatic lipase 198 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 252.31 | Molecular Weight (Monoisotopic): 252.1362 | AlogP: 2.20 | #Rotatable Bonds: 5 |
| Polar Surface Area: 44.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.17 | CX LogD: 2.17 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.43 | Np Likeness Score: 2.00 |
References
| 1. Kang HS, Kim JP.. (2016) Ostalactones A-C, β- and ε-Lactones with Lipase Inhibitory Activity from the Cultured Basidiomycete Stereum ostrea., 79 (12): [PMID:28006918] [10.1021/acs.jnatprod.6b00647] |
Source
Source(1):