[3-(1,3-Benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
| Internal ID | 67fc4704-abad-4ee5-80c5-bb23e33898e7 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [3-(1,3-benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C(C(C2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)C=CC6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C2C(C(C2C(=O)N3CCCCC3)C4=CC5=C(C=C4)OCO5)C=CC6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C32H36N2O6/c35-31(33-13-3-1-4-14-33)29-23(10-7-21-8-11-24-26(17-21)39-19-37-24)28(22-9-12-25-27(18-22)40-20-38-25)30(29)32(36)34-15-5-2-6-16-34/h7-12,17-18,23,28-30H,1-6,13-16,19-20H2 |
| InChI Key | FHGLOMNJXOFZGO-UHFFFAOYSA-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 | 4.40 |
| There are no found synonyms. |
![2D Structure of [3-(1,3-Benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/a7460cf0-87d5-11ee-a1b8-c5fcfc975c92.jpg "2D Structure of [3-(1,3-Benzodioxol-5-yl)-2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.55% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.46% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.11% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.33% | 83.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.29% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 90.09% | 90.24% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.39% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.88% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.52% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.48% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.26% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.86% | 98.95% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.59% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.87% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.17% | 92.62% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.57% | 88.48% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.92% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.46% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.61% | 93.40% |
| CHEMBL5028 | O14672 | ADAM10 | 80.86% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.74% | 90.00% |
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 | 85426339 |
| LOTUS | LTS0142411 |
| wikiData | Q104995244 |