(1S,5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one
| Internal ID | 09b73956-1c1e-4c37-a63a-56ef853360fa |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Piperidinones |
| IUPAC Name | (1S,5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C9H15NO/c1-9-4-2-3-7(10-9)5-8(11)6-9/h7,10H,2-6H2,1H3/t7-,9-/m0/s1 |
| InChI Key | BWXDELRNNYLLKB-CBAPKCEASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.22 g/mol |
| Exact Mass | 153.115364102 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (1S,5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/1s5s-1-methyl-9-azabicyclo331nonan-3-one.jpg "2D Structure of (1S,5S)-1-methyl-9-azabicyclo[3.3.1]nonan-3-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.99% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.70% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.02% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.15% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.00% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.27% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.54% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.12% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.06% | 91.11% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.51% | 99.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.43% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.94% | 93.03% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.49% | 90.08% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.36% | 85.30% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Pinus edulis |
| PubChem | 50918821 |
| LOTUS | LTS0073342 |
| wikiData | Q104947721 |