[2,3-Bis[4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
| Internal ID | 998dd4dd-c318-489c-a888-47d7e2cb808a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [2,3-bis[4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C2C(C(C2C(=O)N3CCCCC3)C=CC=CC4=CC5=C(C=C4)OCO5)C=CC=CC6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C2C(C(C2C(=O)N3CCCCC3)C=CC=CC4=CC5=C(C=C4)OCO5)C=CC=CC6=CC7=C(C=C6)OCO7 |
| InChI | InChI=1S/C38H42N2O6/c41-37(39-19-7-1-8-20-39)35-29(13-5-3-11-27-15-17-31-33(23-27)45-25-43-31)30(36(35)38(42)40-21-9-2-10-22-40)14-6-4-12-28-16-18-32-34(24-28)46-26-44-32/h3-6,11-18,23-24,29-30,35-36H,1-2,7-10,19-22,25-26H2 |
| InChI Key | DJVLRJCLHYIIKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42N2O6 |
| Molecular Weight | 622.70 g/mol |
| Exact Mass | 622.30428706 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of [2,3-Bis[4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/bff215d0-8537-11ee-9466-a13dad166a89.jpg "2D Structure of [2,3-Bis[4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.89% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.40% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.37% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.31% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.34% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.96% | 96.09% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 89.69% | 92.51% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 88.09% | 90.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.40% | 98.95% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.85% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.40% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.08% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.17% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.96% | 97.50% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.65% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
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 | 163022556 |
| LOTUS | LTS0082323 |
| wikiData | Q104982838 |