[(1S,2R,3R,4S)-2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
| Internal ID | cadd2a5d-9365-4a6c-bef0-de5c6700d0d7 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [(1S,2R,3R,4S)-2,3-bis[(E)-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)C=CC4=CC5=C(C=C4)OCO5)C=CC6=CC7=C(C=C6)OCO7 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]([C@H]2/C=C/C3=CC4=C(OCO4)C=C3)/C=C/C5=CC6=C(OCO6)C=C5)C(=O)N7CCCCC7 |
| InChI | InChI=1S/C34H38N2O6/c37-33(35-15-3-1-4-16-35)31-25(11-7-23-9-13-27-29(19-23)41-21-39-27)26(32(31)34(38)36-17-5-2-6-18-36)12-8-24-10-14-28-30(20-24)42-22-40-28/h7-14,19-20,25-26,31-32H,1-6,15-18,21-22H2/b11-7+,12-8+/t25-,26-,31+,32+/m1/s1 |
| InChI Key | QOESZPJYTVEXNN-BYSNFBRKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H38N2O6 |
| Molecular Weight | 570.70 g/mol |
| Exact Mass | 570.27298694 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,3R,4S)-2,3-bis[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/90705ad0-8772-11ee-a772-8d96a9c6cc85.jpg "2D Structure of [(1S,2R,3R,4S)-2,3-bis[(E)-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.77% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.96% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.24% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.59% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.44% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.41% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.22% | 90.24% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.83% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.91% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.26% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.21% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.52% | 94.80% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 85.31% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.60% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.00% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.41% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.73% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.00% | 92.62% |
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 | 11250042 |
| LOTUS | LTS0047770 |
| wikiData | Q105224844 |