7-(1,3-Benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,4,6-trien-1-one
| Internal ID | a652443a-2bad-4756-94f5-9ce26a19762b |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 7-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylhepta-2,4,6-trien-1-one |
| SMILES (Canonical) | C1CCN(C1)C(=O)C=CC=CC=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(C1)C(=O)C=CC=CC=CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C18H19NO3/c20-18(19-11-5-6-12-19)8-4-2-1-3-7-15-9-10-16-17(13-15)22-14-21-16/h1-4,7-10,13H,5-6,11-12,14H2 |
| InChI Key | CUTSGEORQNCXRC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO3 |
| Molecular Weight | 297.30 g/mol |
| Exact Mass | 297.13649347 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 3.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.90% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.58% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.43% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.56% | 89.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.78% | 92.51% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.80% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.32% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.12% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.97% | 94.80% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.44% | 83.57% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.03% | 90.24% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.71% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.51% | 98.95% |
| 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 | 73098580 |
| LOTUS | LTS0237875 |
| wikiData | Q104970499 |