(E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one
| Internal ID | 74354941-ae0f-4fcd-9559-13ade73652a0 |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | (E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C=CCCC2=CC(=C3C(=C2)OCO3)C4=C(C=CC5=C4OCO5)C=CC=CC(=O)N6CCCCC6 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)/C=C/CCC2=CC(=C3C(=C2)OCO3)C4=C(C=CC5=C4OCO5)/C=C/C=C/C(=O)N6CCCCC6 |
| InChI | InChI=1S/C34H38N2O6/c37-30(35-17-7-1-8-18-35)13-5-3-11-25-21-27(33-29(22-25)40-24-41-33)32-26(15-16-28-34(32)42-23-39-28)12-4-6-14-31(38)36-19-9-2-10-20-36/h4-6,12-16,21-22H,1-3,7-11,17-20,23-24H2/b12-4+,13-5+,14-6+ |
| InChI Key | RDLVFVVPYFMWMF-NFTUMOSNSA-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 | 5.90 |
| There are no found synonyms. |
![2D Structure of (E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/f4eee540-86c3-11ee-b436-19cf8e5ebc11.jpg "2D Structure of (E)-5-[7-[5-[(1E,3E)-5-oxo-5-piperidin-1-ylpenta-1,3-dienyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-1-piperidin-1-ylpent-2-en-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.18% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.14% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.52% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.15% | 89.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.91% | 95.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.32% | 96.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.18% | 96.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.90% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.52% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.09% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.53% | 92.62% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.25% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.14% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.21% | 94.73% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.08% | 87.67% |
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 | 11203891 |
| LOTUS | LTS0118295 |
| wikiData | Q105234315 |