3-[2-(1,3-Benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one
| Internal ID | 7f755b85-4a86-425b-883a-e9d11cc4eea4 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 3-[2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one |
| SMILES (Canonical) | CCCCCC1C(C=CC(C1C=CC(=O)N2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5 |
| SMILES (Isomeric) | CCCCCC1C(C=CC(C1C=CC(=O)N2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5 |
| InChI | InChI=1S/C32H44N2O4/c1-2-3-6-11-26-27(15-17-31(35)33-18-7-4-8-19-33)25(24-12-16-29-30(22-24)38-23-37-29)13-14-28(26)32(36)34-20-9-5-10-21-34/h12-17,22,25-28H,2-11,18-21,23H2,1H3 |
| InChI Key | PGBYRHUXIZJVKO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H44N2O4 |
| Molecular Weight | 520.70 g/mol |
| Exact Mass | 520.33010789 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/67ec1060-855e-11ee-aa16-93f67656e850.jpg "2D Structure of 3-[2-(1,3-Benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-piperidin-1-ylprop-2-en-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 99.08% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.50% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.84% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.59% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.09% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.67% | 91.81% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.45% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.24% | 89.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.72% | 96.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.57% | 95.50% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.58% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.08% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.05% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.80% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.28% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.38% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.72% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.50% | 99.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.37% | 98.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.25% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.75% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.54% | 97.25% |
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 | 72968118 |
| LOTUS | LTS0136211 |
| wikiData | Q105208306 |