7-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,6-dien-1-one
| Internal ID | f20338a4-62ab-4645-8876-a0f1226f964d |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 7-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylhepta-2,6-dien-1-one |
| SMILES (Canonical) | C1CCN(CC1)C(=O)C=CCCC=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(CC1)C(=O)C=CCCC=CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C19H23NO3/c21-19(20-12-6-3-7-13-20)9-5-2-1-4-8-16-10-11-17-18(14-16)23-15-22-17/h4-5,8-11,14H,1-3,6-7,12-13,15H2 |
| InChI Key | HFKLKVAMFMBFCX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.40 g/mol |
| Exact Mass | 313.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.20% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.25% | 96.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.06% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.89% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 90.03% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.90% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.01% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.99% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.15% | 90.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.97% | 91.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.23% | 90.71% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.64% | 90.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.51% | 92.62% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.52% | 83.57% |
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 |
| Piper sintenense |
| PubChem | 85101233 |
| LOTUS | LTS0183088 |
| wikiData | Q105027373 |