| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4847399
Max Phase: Preclinical
Molecular Formula: C15H24O2
Molecular Weight: 236.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C=C1CC/C=C(/C)[C@H](O)C[C@@H]2[C@@H]1CC2(C)CO
Standard InChI: InChI=1S/C15H24O2/c1-10-5-4-6-11(2)14(17)7-13-12(10)8-15(13,3)9-16/h6,12-14,16-17H,1,4-5,7-9H2,2-3H3/b11-6-/t12-,13-,14-,15?/m1/s1
Standard InChI Key: BWGHMIOAHJTYSJ-WCVVYZEXSA-N
Associated Targets(non-human)
Listeria monocytogenes 2626 Activities
Pseudomonas aeruginosa 123386 Activities
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Staphylococcus aureus 210822 Activities
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Escherichia coli 133304 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: 236.35 | Molecular Weight (Monoisotopic): 236.1776 | AlogP: 2.67 | #Rotatable Bonds: 1 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.01 | CX LogD: 2.01 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.69 | Np Likeness Score: 3.65 |
References
| 1. Sadeghi Z, Masullo M, Cerulli A, Nazzaro F, Farimani MM, Piacente S.. (2021) Terpenoid Constituents of Perovskia artemisioides Aerial Parts with Inhibitory Effects on Bacterial Biofilm Growth., 84 (1.0): [PMID:33378620] [10.1021/acs.jnatprod.0c00832] |
Source
Source(1):