5-(2H-1,3-Benzodioxol-5-YL)-1-(piperidin-1-YL)pent-2-EN-1-one
| Internal ID | 6c7ab601-ef0d-4bd9-af7b-fe902da15d80 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C=CCCC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C=CCCC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2 |
| InChI Key | QHWOFMXDKFORMO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO3 |
| Molecular Weight | 287.35 g/mol |
| Exact Mass | 287.15214353 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 3.10 |
| 5-(2H-1,3-BENZODIOXOL-5-YL)-1-(PIPERIDIN-1-YL)PENT-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 |
|---|---|---|---|---|
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 97.28% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.26% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.80% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.81% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.37% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.11% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.90% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.39% | 90.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.37% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.13% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.80% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.44% | 96.76% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.32% | 96.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.07% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.90% | 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 capense |
| Piper guineense |
| Piper nigrum |
| Piper swartzianum |
| Piper tuberculatum |
| PubChem | 276753 |
| LOTUS | LTS0172073 |
| wikiData | Q82923767 |