| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4589228
Max Phase: Preclinical
Molecular Formula: C11H16O2
Molecular Weight: 180.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCC/C=C\C1=CC(C)OC1=O
Standard InChI: InChI=1S/C11H16O2/c1-3-4-5-6-7-10-8-9(2)13-11(10)12/h6-9H,3-5H2,1-2H3/b7-6-
Standard InChI Key: OVEBWDPQALSVNI-SREVYHEPSA-N
Associated Targets(non-human)
Berkeleyomyces basicola 8 Activities
Globisporangium ultimum 223 Activities
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Fusarium solani 1274 Activities
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Fusarium oxysporum 3998 Activities
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Rhizoctonia solani 2251 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 |
|---|
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: 180.25 | Molecular Weight (Monoisotopic): 180.1150 | AlogP: 2.60 | #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: 13.68 | CX Basic pKa: | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.49 | Np Likeness Score: 3.15 |
References
| 1. Husain A, Khan SA, Iram F, Iqbal MA, Asif M.. (2019) Insights into the chemistry and therapeutic potential of furanones: A versatile pharmacophore., 171 [PMID:30909021] [10.1016/j.ejmech.2019.03.021] |
Source
Source(1):