[4,5-Bis[2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone
| Internal ID | db30d888-8ba4-451e-8152-89550724e755 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [4,5-bis[2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C=CC(C(C2C(=O)N3CCCCC3)C=CC4=CC5=C(C=C4)OCO5)C=CC6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C2C=CC(C(C2C(=O)N3CCCCC3)C=CC4=CC5=C(C=C4)OCO5)C=CC6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C36H40N2O6/c39-35(37-17-3-1-4-18-37)29-14-12-27(11-7-25-9-15-30-32(21-25)43-23-41-30)28(34(29)36(40)38-19-5-2-6-20-38)13-8-26-10-16-31-33(22-26)44-24-42-31/h7-16,21-22,27-29,34H,1-6,17-20,23-24H2 |
| InChI Key | GREGGMAPGMHDBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H40N2O6 |
| Molecular Weight | 596.70 g/mol |
| Exact Mass | 596.28863700 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of [4,5-Bis[2-(1,3-benzodioxol-5-yl)ethenyl]-6-(piperidine-1-carbonyl)cyclohex-2-en-1-yl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/b16b3cf0-86b8-11ee-abe7-c1228ca58caf.jpg "2D Structure of [4,5-Bis[2-(1,3-benzodioxol-5-yl)ethenyl]-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 |
|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 93.73% | 83.57% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.50% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.88% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.50% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.86% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.70% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.51% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.96% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.14% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.95% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.07% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.90% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL5028 | O14672 | ADAM10 | 83.56% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.88% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.37% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.41% | 97.36% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.09% | 93.40% |
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 | 72764230 |
| LOTUS | LTS0021826 |
| wikiData | Q105015823 |