N-(2-Methylpropyl)non-2-ene-6,8-diynamide
| Internal ID | 0b45359e-c147-48d4-9808-0ef1f88e1d49 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-(2-methylpropyl)non-2-en-6,8-diynamide |
| SMILES (Canonical) | CC(C)CNC(=O)C=CCCC#CC#C |
| SMILES (Isomeric) | CC(C)CNC(=O)C=CCCC#CC#C |
| InChI | InChI=1S/C13H17NO/c1-4-5-6-7-8-9-10-13(15)14-11-12(2)3/h1,9-10,12H,7-8,11H2,2-3H3,(H,14,15) |
| InChI Key | RITIPEBSFZSULI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H17NO |
| Molecular Weight | 203.28 g/mol |
| Exact Mass | 203.131014166 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 2.60 |
| N-(2-Methylpropyl)non-2-ene-6,8-diynamide |
| DTXSID80760110 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.57% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.21% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.53% | 89.63% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.87% | 95.71% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.29% | 97.47% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.99% | 95.93% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.58% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.41% | 100.00% |
| CHEMBL4822 | P56817 | Beta-secretase 1 | 85.25% | 97.35% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.91% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.47% | 99.17% |
| CHEMBL2637 | P53779 | c-Jun N-terminal kinase 3 | 84.29% | 92.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 82.43% | 98.59% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.17% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.99% | 96.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.42% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.31% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.20% | 94.33% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 80.91% | 98.57% |
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.
| Acmella oleracea |
| PubChem | 71331534 |
| LOTUS | LTS0121938 |
| wikiData | Q82714465 |