| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
13-EPIGLOEOSPORONE
ID: ALA2287144
Max Phase: Preclinical
Molecular Formula: C18H34N2O4
Molecular Weight: 342.48
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@H](CCC(=O)O1)O2.NN
Standard InChI: InChI=1S/C18H30O4.H4N2/c1-2-3-5-8-14-9-6-4-7-10-15-13-16(19)17(21-15)11-12-18(20)22-14;1-2/h14-15,17H,2-13H2,1H3;1-2H2/t14-,15-,17+;/m1./s1
Standard InChI Key: ACQIRCFZTAWBEV-HZCGWTNTSA-N
Associated Targets(non-human)
Colletotrichum gloeosporioides 560 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 342.48 | Molecular Weight (Monoisotopic): 342.2519 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. UENO T, MIYAGAWA H, TSURUSHIMA T, INOUE M. (1997) Spore Germination Self-Inhibitors from Plant Pathogenic Fungi, 22 (4): [10.1584/jpestics.22.342] |
Source
Source(1):