3-(1,3-Benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
| Internal ID | fb1d4e93-eca0-46dd-b1b7-085b4f0ba98c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives |
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one |
| SMILES (Canonical) | C1CCN(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C14H15NO3/c16-14(15-7-1-2-8-15)6-4-11-3-5-12-13(9-11)18-10-17-12/h3-6,9H,1-2,7-8,10H2 |
| InChI Key | SXFYVDPKNPGHKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.27 g/mol |
| Exact Mass | 245.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.50 |
| AKOS017262393 |
| 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 | 94.17% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.02% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.72% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.77% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.17% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.89% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.68% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.15% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 85.46% | 90.24% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.65% | 83.57% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.68% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.46% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
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 | 694733 |
| LOTUS | LTS0128254 |
| wikiData | Q105263096 |