(7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
| Internal ID | 4a8710a3-ddc1-4cbf-a161-6a188a00645a |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Aloperine and related alkaloids > Ormosia-type alkaloids |
| IUPAC Name | (7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane |
| SMILES (Canonical) | C1CCNC(C1)C23CC(CC4C2NCCC4)C5CCCCN5C3 |
| SMILES (Isomeric) | C1CCN[C@@H](C1)C23CC(C[C@@H]4C2NCCC4)C5CCCCN5C3 |
| InChI | InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17?,18+,19?,20?/m1/s1 |
| InChI Key | YUKCLPPRYNXRAF-ZZASFCMCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H35N3 |
| Molecular Weight | 317.50 g/mol |
| Exact Mass | 317.283098129 g/mol |
| Topological Polar Surface Area (TPSA) | 27.30 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane](https://plantaedb.com/storage/docs/compounds/2023/11/7r-1-2s-piperidin-2-yl-315-diazatetracyclo77102701015heptadecane.jpg "2D Structure of (7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]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 | 98.36% | 97.25% |
| CHEMBL238 | Q01959 | Dopamine transporter | 97.85% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.59% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.93% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.26% | 94.45% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.91% | 95.51% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.64% | 98.10% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 90.07% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.64% | 95.50% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 87.48% | 98.99% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.23% | 97.21% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 86.15% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.82% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.32% | 96.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.81% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.28% | 82.69% |
| CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 83.18% | 95.61% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 83.10% | 99.29% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 82.01% | 97.98% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 81.57% | 95.58% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 81.28% | 98.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.12% | 93.00% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.97% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.79% | 92.94% |
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.
| Bowdichia virgilioides |
| Ormosia jamaicensis |
| Ormosia macrocalyx |
| PubChem | 5320310 |
| LOTUS | LTS0092969 |
| wikiData | Q105363290 |