N-octadec-9-enoylpyrrolidine
| Internal ID | 3a03e516-92cc-4aca-95cc-1414a807f65f |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-acylpyrrolidines |
| IUPAC Name | 1-pyrrolidin-1-yloctadec-9-en-1-one |
| SMILES (Canonical) | CCCCCCCCC=CCCCCCCCC(=O)N1CCCC1 |
| SMILES (Isomeric) | CCCCCCCCC=CCCCCCCCC(=O)N1CCCC1 |
| InChI | InChI=1S/C22H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)23-20-17-18-21-23/h9-10H,2-8,11-21H2,1H3 |
| InChI Key | KEMZFVSIIGZOCH-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H41NO |
| Molecular Weight | 335.60 g/mol |
| Exact Mass | 335.318814931 g/mol |
| Topological Polar Surface Area (TPSA) | 20.30 Ų |
| XlogP | 7.70 |
| 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 | 97.27% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.86% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.89% | 99.17% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 93.68% | 91.81% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.02% | 92.86% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.14% | 92.08% |
| CHEMBL3105 | P09874 | Poly [ADP-ribose] polymerase-1 | 88.76% | 93.90% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.96% | 100.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 87.86% | 90.24% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.43% | 97.00% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 84.42% | 96.25% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.81% | 82.38% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.50% | 94.33% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.34% | 95.50% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.84% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.50% | 92.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.63% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.15% | 90.71% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.14% | 94.66% |
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 amalago |
| PubChem | 574882 |
| LOTUS | LTS0257143 |
| wikiData | Q105140062 |