| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2268851
Max Phase: Preclinical
Molecular Formula: C16H30O4
Molecular Weight: 286.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(=O)OCC(C)COC(=O)CCCCC
Standard InChI: InChI=1S/C16H30O4/c1-4-6-8-10-15(17)19-12-14(3)13-20-16(18)11-9-7-5-2/h14H,4-13H2,1-3H3
Standard InChI Key: TYKCRGSUHRQKMF-UHFFFAOYSA-N
Associated Targets(non-human)
Helicoverpa armigera 708 Activities
Spodoptera litura 1708 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 286.41 | Molecular Weight (Monoisotopic): 286.2144 | AlogP: 3.87 | #Rotatable Bonds: 12 |
| Polar Surface Area: 52.60 | Molecular Species: | 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: 4.28 | CX LogD: 4.28 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.40 | Np Likeness Score: 0.33 |
References
| 1. Koul O, Singh G, Rajwinder Singh, Middha A, Walia S, Shukla P, Kaul VK.. (2012) Biorational glycol diesters as dietary toxins versus bioefficacy of sucrose octanoate against lepidopteran larvae, 40 [10.1016/j.indcrop.2012.03.010] |
Source
Source(1):