| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TRICHODIENE
ID: ALA2251626
Max Phase: Preclinical
Molecular Formula: C15H24
Molecular Weight: 204.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1CCC[C@]1(C)[C@]1(C)CC=C(C)CC1
Standard InChI: InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m1/s1
Standard InChI Key: YFLSTROSSKYYNK-CABCVRRESA-N
Associated Targets(non-human)
Arabidopsis thaliana 307 Activities
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: 204.36 | Molecular Weight (Monoisotopic): 204.1878 | AlogP: 4.87 | #Rotatable Bonds: 1 |
| 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: 4.53 | CX LogD: 4.53 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.53 | Np Likeness Score: 2.88 |
References
| 1. Desjardins AE, McCormick SP, Appell M.. (2007) Structure-activity relationships of trichothecene toxins in an Arabidopsis thaliana leaf assay., 55 (16): [PMID:17630765] [10.1021/jf0709193] |
Source
Source(1):