| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ASCARIDOLE
ID: ALA467614
Max Phase: Preclinical
Molecular Formula: C10H16O2
Molecular Weight: 168.24
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Ascaridole
Synonyms from Alternative Forms(1):
Canonical SMILES: CC(C)C12C=CC(C)(CC1)OO2
Standard InChI: InChI=1S/C10H16O2/c1-8(2)10-6-4-9(3,5-7-10)11-12-10/h4,6,8H,5,7H2,1-3H3
Standard InChI Key: MGYMHQJELJYRQS-UHFFFAOYSA-N
Associated Targets(non-human)
Trypanosoma cruzi 99888 Activities
Aphelenchoides besseyi 16 Activities
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Meloidogyne incognita 862 Activities
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Mus musculus 284745 Activities
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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 |
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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: 168.24 | Molecular Weight (Monoisotopic): 168.1150 | AlogP: 2.45 | #Rotatable Bonds: 1 |
| Polar Surface Area: 18.46 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.64 | CX LogD: 2.64 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.44 | Np Likeness Score: 3.25 |
References
| 1. Kiuchi F, Itano Y, Uchiyama N, Honda G, Tsubouchi A, Nakajima-Shimada J, Aoki T.. (2002) Monoterpene hydroperoxides with trypanocidal activity from Chenopodium ambrosioides., 65 (4): [PMID:11975490] [10.1021/np010445g] |
| 2. Woerdenbag HJ, Moskal TA, Pras N, Malingré TM, el-Feraly FS, Kampinga HH, Konings AW.. (1993) Cytotoxicity of artemisinin-related endoperoxides to Ehrlich ascites tumor cells., 56 (6): [PMID:8350087] [10.1021/np50096a007] |
| 3. Yen Y, Yeh M, Hsiao W. (2007) Synthesis and nematocidal activity of ascaridole derivatives against Meloidogyne incognita and Aphelenchoides besseyi, 32 (1): [10.1584/jpestics.G06-44] |
| 4. Dougnon G, Ito M.. (2021) Role of Ascaridole and p-Cymene in the Sleep-Promoting Effects of Dysphania ambrosioides Essential Oil via the GABAergic System in a ddY Mouse Inhalation Model., 84 (1.0): [PMID:33325703] [10.1021/acs.jnatprod.0c01137] |
Source
Source(1):