(2S,10R,13R,15R)-15-methyl-6,17-diazapentacyclo[8.6.1.01,6.02,10.02,13]heptadecane
| Internal ID | b12b77d0-000d-444a-8f12-25ddf0ea2323 |
| Taxonomy | Organoheterocyclic compounds > Azaspirodecane derivatives |
| IUPAC Name | (2S,10R,13R,15R)-15-methyl-6,17-diazapentacyclo[8.6.1.01,6.02,10.02,13]heptadecane |
| SMILES (Canonical) | CC1CC2CCC34C25CCCN(C5(C1)N3)CCC4 |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2CC[C@@]34[C@]25CCCN(C5(C1)N3)CCC4 |
| InChI | InChI=1S/C16H26N2/c1-12-10-13-4-7-14-5-2-8-18-9-3-6-15(13,14)16(18,11-12)17-14/h12-13,17H,2-11H2,1H3/t12-,13-,14+,15+,16?/m1/s1 |
| InChI Key | OAZOHRGEPYRUQB-WHWZVRATSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26N2 |
| Molecular Weight | 246.39 g/mol |
| Exact Mass | 246.209598838 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (2S,10R,13R,15R)-15-methyl-6,17-diazapentacyclo[8.6.1.01,6.02,10.02,13]heptadecane](https://plantaedb.com/storage/docs/compounds/2023/11/2s10r13r15r-15-methyl-617-diazapentacyclo86101602100213heptadecane.jpg "2D Structure of (2S,10R,13R,15R)-15-methyl-6,17-diazapentacyclo[8.6.1.01,6.02,10.02,13]heptadecane")
| 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 | 97.31% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.30% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.75% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 95.28% | 95.58% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.66% | 97.64% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.73% | 98.10% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.37% | 99.18% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.90% | 95.88% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.54% | 90.24% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 88.38% | 94.78% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 88.24% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.13% | 95.51% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 87.91% | 97.15% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 87.69% | 93.04% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 87.63% | 99.29% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.51% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.86% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.53% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.12% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.73% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.49% | 92.94% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 82.74% | 98.33% |
| CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 82.30% | 90.00% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.66% | 95.69% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.28% | 95.38% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 81.05% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.91% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.74% | 93.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.39% | 93.99% |
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.
| Huperzia serrata |
| PubChem | 163186528 |
| LOTUS | LTS0178645 |
| wikiData | Q105188900 |