ID: ALA2288243
Chembl Id: CHEMBL2288243
PubChem CID: 6560191
Max Phase: Preclinical
Molecular Formula: C10H16O
Molecular Weight: 152.24
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC1(C)C(=O)[C@@]2(C)CC[C@H]1C2
Standard InChI: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10-/m0/s1
Standard InChI Key: LHXDLQBQYFFVNW-XVKPBYJWSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 152.24 | Molecular Weight (Monoisotopic): 152.1201 | AlogP: 2.40 | #Rotatable Bonds: 0 |
| Polar Surface Area: 17.07 | Molecular Species: | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.06 | CX LogD: 3.06 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.52 | Np Likeness Score: 2.47 |
| 1. Abdelgaleil SAM. (2010) Molluscicidal and insecticidal potential of monoterpenes on the white garden snail, Theba pisana (Muller) and the cotton leafworm, Spodoptera littoralis (Boisduval), 45 (3): [10.1303/aez.2010.425] |
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