5-[7-[6-(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 | c8f2837a-e829-4a5d-b307-a13acf5b180e |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | 5-[7-[6-(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=C5C(=CC(=C4)C=CC=CC(=O)N6CCCCC6)OCO5 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C=CCCC2=CC(=C3C(=C2)OCO3)C4=C5C(=CC(=C4)C=CC=CC(=O)N6CCCCC6)OCO5 |
| InChI | InChI=1S/C34H38N2O6/c37-31(35-15-7-1-8-16-35)13-5-3-11-25-19-27(33-29(21-25)39-23-41-33)28-20-26(22-30-34(28)42-24-40-30)12-4-6-14-32(38)36-17-9-2-10-18-36/h3,5-6,11,13-14,19-22H,1-2,4,7-10,12,15-18,23-24H2 |
| InChI Key | NPXVYHIXYLWTHJ-UHFFFAOYSA-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 5-[7-[6-(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/e8d19d30-85fd-11ee-b952-255a2493d733.jpg "2D Structure of 5-[7-[6-(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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.09% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.70% | 83.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.59% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.71% | 89.63% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.27% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.05% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.57% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.39% | 86.33% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.66% | 96.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.56% | 95.17% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.92% | 96.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.36% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 84.47% | 92.51% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.05% | 90.24% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.74% | 98.75% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 80.54% | 96.76% |
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 | 72774008 |
| LOTUS | LTS0144957 |
| wikiData | Q105183542 |