| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALLO-OCIMENE
ID: ALA2268552
Max Phase: Preclinical
Molecular Formula: C10H16
Molecular Weight: 136.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C=C(C)/C=C/C=C(C)C
Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
Standard InChI Key: GQVMHMFBVWSSPF-SOYUKNQTSA-N
Associated Targets(non-human)
Leptinotarsa decemlineata 1161 Activities
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: 136.24 | Molecular Weight (Monoisotopic): 136.1252 | AlogP: 3.48 | #Rotatable Bonds: 2 |
| Polar Surface Area: 0.00 | Molecular Species: | HBA: 0 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 0 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.42 | CX LogD: 3.42 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.51 | Np Likeness Score: 2.83 |
References
| 1. Kordali S, Kesdek M, Çakir A.. (2007) Toxicity of monoterpenes against larvae and adults of Colorado potato beetle, Leptinotarsa decemlineata Say (Coleoptera: Chrysomelidae), 26 (3): [10.1016/j.indcrop.2007.03.009] |
| 2. PubChem BioAssay data set, |
| 3. PubChem BioAssay data set, |
Source
Source(2):