| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LALIOSIDE
ID: ALA2286764
Max Phase: Preclinical
Molecular Formula: C14H18O10
Molecular Weight: 346.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1c(O)cc(O)c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Standard InChI: InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)9(19)13(8)24-14-12(22)11(21)10(20)7(3-15)23-14/h2,7,10-12,14-15,17-22H,3H2,1H3/t7-,10-,11+,12-,14+/m1/s1
Standard InChI Key: ZLGYDHODHCRHMW-WHFNTLTKSA-N
Associated Targets(non-human)
Agrobacterium tumefaciens 620 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: 346.29 | Molecular Weight (Monoisotopic): 346.0900 | AlogP: -1.82 | #Rotatable Bonds: 4 |
| Polar Surface Area: 177.14 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 7 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.08 | CX Basic pKa: | CX LogP: -1.30 | CX LogD: -1.38 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.19 | Np Likeness Score: 2.18 |
References
| 1. Trigui M, Ben Hsouna A, Hammami I, Culioli G, Ksantini M, Tounsi S, Jaoua S.. (2013) Efficacy of Lawsonia inermis leaves extract and its phenolic compounds against olive knot and crown gall diseases, 45 [10.1016/j.cropro.2012.11.014] |
Source
Source(1):