[(1S,4R,5R,6S)-4,5-bis(1,3-benzodioxol-5-yl)-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | cecd464f-727d-4363-ad03-514311ce64a7 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes |
| IUPAC Name | [(1S,4R,5R,6S)-4,5-bis(1,3-benzodioxol-5-yl)-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)C6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)[C@H]2C=C[C@H]([C@H]([C@@H]2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)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)29(22-8-12-26-28(18-22)40-20-38-26)30(24)32(36)34-15-5-2-6-16-34/h7-12,17-18,23-24,29-30H,1-6,13-16,19-20H2/t23-,24-,29+,30+/m0/s1 |
| InChI Key | LOCTZZBVHGYIPM-BAAZAXTHSA-N |
| Popularity | 0 references 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 [(1S,4R,5R,6S)-4,5-bis(1,3-benzodioxol-5-yl)-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/3863d960-8631-11ee-8d1e-a132e9bea3f7.jpg "2D Structure of [(1S,4R,5R,6S)-4,5-bis(1,3-benzodioxol-5-yl)-6-(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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.57% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.05% | 96.77% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 89.23% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.88% | 97.36% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.45% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.49% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.08% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.06% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.82% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.31% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.22% | 93.40% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.22% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.79% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.52% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.93% | 83.57% |
| CHEMBL5028 | O14672 | ADAM10 | 81.76% | 97.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 81.04% | 92.17% |
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 | 11376207 |
| LOTUS | LTS0191462 |
| wikiData | Q105154642 |