[(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | efe7d859-fd03-402e-95d8-9a3ec1f38360 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)[C@@H]2C=C[C@@H]([C@H]([C@@H]2C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5)C6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C32H36N2O6/c35-31(33-13-3-1-4-14-33)24-10-9-23(21-7-11-25-27(17-21)39-19-37-25)30(32(36)34-15-5-2-6-16-34)29(24)22-8-12-26-28(18-22)40-20-38-26/h7-12,17-18,23-24,29-30H,1-6,13-16,19-20H2/t23-,24-,29-,30-/m1/s1 |
| InChI Key | GKWVCZGKAZBFGX-XCQPVXNCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H36N2O6 |
| Molecular Weight | 544.60 g/mol |
| Exact Mass | 544.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/0aadf420-86cf-11ee-8dba-0115b1630250.jpg "2D Structure of [(1R,4S,5R,6R)-4,6-bis(1,3-benzodioxol-5-yl)-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.35% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.06% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.90% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.68% | 90.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.55% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.47% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.25% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.53% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.87% | 91.11% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.86% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.98% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.88% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.54% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.37% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.26% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.61% | 80.71% |
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.
| Piper nigrum |
| PubChem | 11489641 |
| LOTUS | LTS0033803 |
| wikiData | Q105010419 |