(1S,2S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
| Internal ID | d792828d-69f9-4349-bd49-e4b998571779 |
| Taxonomy | Alkaloids and derivatives > Lupin alkaloids > Aloperine and related alkaloids > Ormosia-type alkaloids |
| IUPAC Name | (1S,2S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene |
| SMILES (Canonical) | C1CCNC(C1)C23CC(C=C4C2NCCC4)C5CCCCN5C3 |
| SMILES (Isomeric) | C1CCN[C@H](C1)[C@@]23C[C@@H](C=C4[C@@H]2NCCC4)[C@H]5CCCCN5C3 |
| InChI | InChI=1S/C20H33N3/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/h12,16-19,21-22H,1-11,13-14H2/t16-,17-,18-,19+,20+/m1/s1 |
| InChI Key | BVSPPBKONISENN-UEDWAMCQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H33N3 |
| Molecular Weight | 315.50 g/mol |
| Exact Mass | 315.267448065 g/mol |
| Topological Polar Surface Area (TPSA) | 27.30 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (1S,2S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s9s10r-1-2r-piperidin-2-yl-315-diazatetracyclo77102701015heptadec-7-ene.jpg "2D Structure of (1S,2S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene")
| 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 | 96.68% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.42% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.94% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 92.18% | 94.78% |
| CHEMBL238 | Q01959 | Dopamine transporter | 90.23% | 95.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.07% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.15% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.08% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.01% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.10% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.04% | 98.10% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.68% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.01% | 96.09% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.88% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.02% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.62% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.43% | 93.40% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.74% | 93.04% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 80.63% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.09% | 100.00% |
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.
| Ormosia semicastrata |
| PubChem | 162907017 |
| LOTUS | LTS0192071 |
| wikiData | Q104946834 |