| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
NONANAL
ID: ALA2228376
Max Phase: Preclinical
Molecular Formula: C9H18O
Molecular Weight: 142.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCC=O
Standard InChI: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
Standard InChI Key: GYHFUZHODSMOHU-UHFFFAOYSA-N
Associated Targets(non-human)
Bursaphelenchus xylophilus 372 Activities
Meloidogyne javanica 98 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 7 |
| 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: 2.99 | CX LogD: 2.99 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.39 | Np Likeness Score: 1.39 |
References
| 1. Kim J, Seo SM, Lee SG, Shin SC, Park IK.. (2008) Nematicidal activity of plant essential oils and components from coriander (Coriandrum sativum), Oriental sweetgum (Liquidambar orientalis), and valerian (Valeriana wallichii) essential oils against pine wood nematode (Bursaphelenchus xylophilus)., 56 (16): [PMID:18605734] [10.1021/jf800780f] |
| 2. Seo SM, Kim J, Kim E, Park HM, Kim YJ, Park IK.. (2010) Structure-activity relationship of aliphatic compounds for nematicidal activity against pine wood nematode (Bursaphelenchus xylophilus)., 58 (3): [PMID:20055406] [10.1021/jf902575f] |
| 3. Caboni P, Ntalli NG, Aissani N, Cavoski I, Angioni A.. (2012) Nematicidal activity of (E,E)-2,4-decadienal and (E)-2-decenal from Ailanthus altissima against Meloidogyne javanica., 60 (4): [PMID:22224661] [10.1021/jf2044586] |
| 4. PubChem BioAssay data set, |
Source
Source(2):