5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide
| Internal ID | ed813529-95a9-421f-9cc6-4f54688ad629 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-4-pentyl-6-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide |
| SMILES (Canonical) | CCCCCC1C=CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4)C(=O)NCC(C)C |
| SMILES (Isomeric) | CCCCCC1C=CC(C(C1C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCC4)C(=O)NCC(C)C |
| InChI | InChI=1S/C29H42N2O4/c1-4-5-7-10-21-11-13-23(28(32)30-18-20(2)3)27(29(33)31-15-8-6-9-16-31)26(21)22-12-14-24-25(17-22)35-19-34-24/h11-14,17,20-21,23,26-27H,4-10,15-16,18-19H2,1-3H3,(H,30,32) |
| InChI Key | VKHVHOSTRKKSBV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H42N2O4 |
| Molecular Weight | 482.70 g/mol |
| Exact Mass | 482.31445783 g/mol |
| Topological Polar Surface Area (TPSA) | 67.90 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.52% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.02% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.69% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.24% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.39% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.53% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 90.88% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.51% | 93.56% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.42% | 98.33% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 90.37% | 96.25% |
| CHEMBL240 | Q12809 | HERG | 90.01% | 89.76% |
| CHEMBL4072 | P07858 | Cathepsin B | 89.83% | 93.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 89.78% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.07% | 92.62% |
| CHEMBL5028 | O14672 | ADAM10 | 86.85% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.88% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.55% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.26% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.29% | 86.33% |
| CHEMBL3691 | Q13822 | Autotaxin | 84.23% | 96.39% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 83.72% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.49% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.02% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.76% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.54% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.22% | 95.56% |
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 | 72831237 |
| LOTUS | LTS0053846 |
| wikiData | Q105287757 |