9-(1,3-Benzodioxol-5-yl)-1-pyrrolidin-1-ylnon-8-en-1-one
| Internal ID | d66ebb80-d96a-40b0-8890-8ca338dc4add |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylnon-8-en-1-one |
| SMILES (Canonical) | C1CCN(C1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
| SMILES (Isomeric) | C1CCN(C1)C(=O)CCCCCCC=CC2=CC3=C(C=C2)OCO3 |
| InChI | InChI=1S/C20H27NO3/c22-20(21-13-7-8-14-21)10-6-4-2-1-3-5-9-17-11-12-18-19(15-17)24-16-23-18/h5,9,11-12,15H,1-4,6-8,10,13-14,16H2 |
| InChI Key | VBHDFZGBKBFFDM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H27NO3 |
| Molecular Weight | 329.40 g/mol |
| Exact Mass | 329.19909372 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 4.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.45% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.75% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.46% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.02% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.28% | 96.77% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 91.71% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.37% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.23% | 93.99% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.80% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.71% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.23% | 90.71% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.28% | 96.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.78% | 86.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.36% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 80.38% | 97.50% |
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 | 68856635 |
| LOTUS | LTS0172884 |
| wikiData | Q105283235 |