| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2251453
Max Phase: Preclinical
Molecular Formula: C8H14O2
Molecular Weight: 142.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC/C=C/COC(C)=O
Standard InChI: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
Standard InChI Key: HRHOWZHRCRZVCU-AATRIKPKSA-N
Associated Targets(non-human)
Colletotrichum acutatum 300 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: 142.20 | Molecular Weight (Monoisotopic): 142.0994 | AlogP: 1.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.93 | CX LogD: 1.93 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.44 | Np Likeness Score: 1.68 |
References
| 1. Arroyo FT, Moreno J, Daza P, Boianova L, Romero F.. (2007) Antifungal activity of strawberry fruit volatile compounds against Colletotrichum acutatum., 55 (14): [PMID:17567029] [10.1021/jf0703957] |
Source
Source(1):