(2E,6E,8Z)-N-(2-methylpropyl)trideca-2,6,8-trien-10,12-diynamide
| Internal ID | 396ca201-2d47-4833-8571-a665147a8962 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | (2E,6E,8Z)-N-(2-methylpropyl)trideca-2,6,8-trien-10,12-diynamide |
| SMILES (Canonical) | CC(C)CNC(=O)C=CCCC=CC=CC#CC#C |
| SMILES (Isomeric) | CC(C)CNC(=O)/C=C/CC/C=C/C=C\C#CC#C |
| InChI | InChI=1S/C17H21NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,7-10,13-14,16H,11-12,15H2,2-3H3,(H,18,19)/b8-7-,10-9+,14-13+ |
| InChI Key | JUCFGDPMYUTZLR-QIPOANPPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.35 g/mol |
| Exact Mass | 255.162314293 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.32% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.53% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.81% | 96.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.02% | 95.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.08% | 95.93% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.03% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.62% | 94.73% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.34% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.31% | 97.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.03% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.30% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.78% | 83.82% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.13% | 94.33% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.31% | 96.38% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.74% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.71% | 91.11% |
| CHEMBL222 | P23975 | Norepinephrine transporter | 80.44% | 96.06% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.11% | 89.63% |
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.
| Echinacea purpurea |
| PubChem | 50915952 |
| LOTUS | LTS0192812 |
| wikiData | Q105135141 |