| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2269424
Max Phase: Preclinical
Molecular Formula: C20H36O3Si
Molecular Weight: 352.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CC(O[Si](C)(C)C(C)(C)C)CC[C@@]1(C)CCC1=CC(=O)OC1
Standard InChI: InChI=1S/C20H36O3Si/c1-15-12-17(23-24(6,7)19(2,3)4)9-11-20(15,5)10-8-16-13-18(21)22-14-16/h13,15,17H,8-12,14H2,1-7H3/t15-,17?,20-/m1/s1
Standard InChI Key: DMTPJDMHJKAIQQ-QMBUQHDCSA-N
Associated Targets(non-human)
Spodoptera exempta 6 Activities
Spodoptera frugiperda 784 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 352.59 | Molecular Weight (Monoisotopic): 352.2434 | 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. klein Gebbinck EA, Stork GA, Jansen BJ, de Groot A. (1999) Synthesis and insect antifeedant activity of 2-substituted 2,3-dihydrofuran-3-ols and butenolides (Part II), 55 (36): [10.1016/S0040-4020(99)00612-2] |
Source
Source(1):