| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2392478
Max Phase: Preclinical
Molecular Formula: C19H32O7
Molecular Weight: 372.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)/C=C\[C@@H]1[C@@H](C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C
Standard InChI: InChI=1S/C19H32O7/c1-10-7-12(8-19(3,4)13(10)6-5-11(2)21)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10,12-18,20,22-24H,7-9H2,1-4H3/b6-5-/t10-,12+,13+,14+,15+,16-,17+,18+/m0/s1
Standard InChI Key: NSDJVCFZKFOLGV-WWQUKUJDSA-N
Associated Targets(non-human)
3T3-L1 3664 Activities
Pancreatic triacylglycerol lipase 476 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | 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: 372.46 | Molecular Weight (Monoisotopic): 372.2148 | AlogP: 0.39 | #Rotatable Bonds: 5 |
| Polar Surface Area: 116.45 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.21 | CX Basic pKa: | CX LogP: 0.57 | CX LogD: 0.57 |
| Aromatic Rings: 0 | Heavy Atoms: 26 | QED Weighted: 0.52 | Np Likeness Score: 2.65 |
References
| 1. Ahn JH, Kim ES, Lee C, Kim S, Cho SH, Hwang BY, Lee MK.. (2013) Chemical constituents from Nelumbo nucifera leaves and their anti-obesity effects., 23 (12): [PMID:23642481] [10.1016/j.bmcl.2013.04.013] |
Source
Source(1):