N-(2-Methylpropyl)trideca-2,7-diene-10,12-diynamide
| Internal ID | de351d9d-9ae0-4b57-860c-f8817619a47e |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-(2-methylpropyl)trideca-2,7-dien-10,12-diynamide |
| SMILES (Canonical) | CC(C)CNC(=O)C=CCCCC=CCC#CC#C |
| SMILES (Isomeric) | CC(C)CNC(=O)C=CCCCC=CCC#CC#C |
| InChI | InChI=1S/C17H23NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(19)18-15-16(2)3/h1,8-9,13-14,16H,7,10-12,15H2,2-3H3,(H,18,19) |
| InChI Key | AUFSPNOHXVRCBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23NO |
| Molecular Weight | 257.37 g/mol |
| Exact Mass | 257.177964357 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.00 |
| N-(2-Methylpropyl)trideca-2,7-diene-10,12-diynamide |
| DTXSID90831683 |
| 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 | 95.60% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.49% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.85% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.28% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.20% | 97.29% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.96% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.78% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.67% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.04% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.64% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.22% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.91% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.19% | 90.17% |
| CHEMBL2637 | P53779 | c-Jun N-terminal kinase 3 | 80.68% | 92.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.00% | 96.47% |
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.
| Blainvillea acmella |
| Echinacea angustifolia |
| Echinacea pallida |
| Echinacea purpurea |
| PubChem | 71412111 |
| LOTUS | LTS0138511 |
| wikiData | Q82817666 |