[(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | 12fa2d32-a9d0-4c5c-9128-07530ac56cfe |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | CCCCCC1C=CC(C(C1C(=O)N2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5 |
| SMILES (Isomeric) | CCCCC[C@H]1C=C[C@H]([C@H]([C@@H]1C(=O)N2CCCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5 |
| InChI | InChI=1S/C30H42N2O4/c1-2-3-6-11-22-12-14-24(29(33)31-16-7-4-8-17-31)27(23-13-15-25-26(20-23)36-21-35-25)28(22)30(34)32-18-9-5-10-19-32/h12-15,20,22,24,27-28H,2-11,16-19,21H2,1H3/t22-,24+,27+,28+/m0/s1 |
| InChI Key | AHFQFVFWNGHIOJ-ZGZOUGAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42N2O4 |
| Molecular Weight | 494.70 g/mol |
| Exact Mass | 494.31445783 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-5-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/888e3850-8562-11ee-8ffb-3503ce48bfd0.jpg "2D Structure of [(1R,4S,5R,6R)-6-(1,3-benzodioxol-5-yl)-4-pentyl-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.12% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.46% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.50% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 93.64% | 89.76% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.43% | 96.77% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 90.23% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.90% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.76% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 88.31% | 96.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.27% | 95.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.97% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.35% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.28% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.71% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.61% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.09% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 82.01% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.82% | 98.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.08% | 95.89% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.95% | 91.81% |
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 | 11214098 |
| LOTUS | LTS0239348 |
| wikiData | Q104912223 |