N-(2-Methylpropyl)octadeca-2,4,12-trienamide
| Internal ID | d49df09d-bb1e-486b-97a3-957ecd341deb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-(2-methylpropyl)octadeca-2,4,12-trienamide |
| SMILES (Canonical) | CCCCCC=CCCCCCCC=CC=CC(=O)NCC(C)C |
| SMILES (Isomeric) | CCCCCC=CCCCCCCC=CC=CC(=O)NCC(C)C |
| InChI | InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24) |
| InChI Key | PCWWIOUZYOPZHT-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H39NO |
| Molecular Weight | 333.60 g/mol |
| Exact Mass | 333.303164868 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 7.80 |
| DTXSID60772473 |
| 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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.88% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.84% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.76% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.55% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.75% | 92.86% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.58% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.23% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.17% | 87.45% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.75% | 95.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 88.58% | 85.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.52% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.63% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.31% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.88% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.70% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.02% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.58% | 94.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.92% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.89% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.17% | 92.08% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 82.70% | 97.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.35% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.70% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.27% | 97.21% |
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 retrofractum |
| PubChem | 71346377 |
| LOTUS | LTS0069416 |
| wikiData | Q82732829 |