(1S,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
| Internal ID | 834b032e-74bc-4655-9245-eb0edb4d726e |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (1S,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13-,16+,17+/m1/s1 |
| InChI Key | SJIMDGIDDDGXLI-OMNBBPDLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H25NO2 |
| Molecular Weight | 275.40 g/mol |
| Exact Mass | 275.188529040 g/mol |
| Topological Polar Surface Area (TPSA) | 37.40 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1s4r6r9r-6-methyl-13-azatetracyclo1131019049heptadecane-28-dione.jpg "2D Structure of (1S,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione")
| 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 | 95.72% | 97.25% |
| CHEMBL228 | P31645 | Serotonin transporter | 91.85% | 95.51% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.97% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.27% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.97% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.89% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.51% | 95.88% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.47% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.47% | 85.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.46% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.39% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.00% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.90% | 93.04% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.67% | 93.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.05% | 90.71% |
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.
| Lycopodium clavatum |
| PubChem | 162937109 |
| LOTUS | LTS0067888 |
| wikiData | Q105254321 |