5-(6-Methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one
| Internal ID | 5b613fa0-4962-4135-8258-05f2cd7d8503 |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent-2-en-1-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1CCC=CC(=O)N3CCCCC3)OCO2 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1CCC=CC(=O)N3CCCCC3)OCO2 |
| InChI | InChI=1S/C18H23NO4/c1-21-15-12-17-16(22-13-23-17)11-14(15)7-3-4-8-18(20)19-9-5-2-6-10-19/h4,8,11-12H,2-3,5-7,9-10,13H2,1H3 |
| InChI Key | AZNMXIXFMAWPME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.76% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.53% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.44% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.88% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.97% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.86% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.56% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.96% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.90% | 85.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.68% | 89.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.74% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.52% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.66% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.42% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 83.52% | 83.57% |
| CHEMBL5028 | O14672 | ADAM10 | 81.03% | 97.50% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.87% | 90.95% |
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 guineense |
| PubChem | 162986 |
| LOTUS | LTS0136820 |
| wikiData | Q104921812 |