| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
2-NONANONE
ID: ALA2228473
Max Phase: Preclinical
Molecular Formula: C9H18O
Molecular Weight: 142.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(C)=O
Standard InChI: InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3
Standard InChI Key: VKCYHJWLYTUGCC-UHFFFAOYSA-N
Associated Targets(non-human)
Meloidogyne javanica 98 Activities
Meloidogyne incognita 862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 142.24 | Molecular Weight (Monoisotopic): 142.1358 | AlogP: 2.94 | #Rotatable Bonds: 6 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.03 | CX LogD: 3.03 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.52 | Np Likeness Score: 0.72 |
References
| 1. Ntalli NG, Manconi F, Leonti M, Maxia A, Caboni P.. (2011) Aliphatic ketones from Ruta chalepensis (Rutaceae) induce paralysis on root knot nematodes., 59 (13): [PMID:21631118] [10.1021/jf2013474] |
Source
Source(1):