(2E,4Z)-N-[(2S)-2-methylbutyl]undeca-2,4-dien-8,10-diynamide
| Internal ID | a6d0376a-e942-47ee-8aed-39cc3570a303 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | (2E,4Z)-N-[(2S)-2-methylbutyl]undeca-2,4-dien-8,10-diynamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CC=CCCC#CC#C |
| SMILES (Isomeric) | CC[C@H](C)CNC(=O)/C=C/C=C\CCC#CC#C |
| InChI | InChI=1S/C16H21NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,10-13,15H,5,8-9,14H2,2-3H3,(H,17,18)/b11-10-,13-12+/t15-/m0/s1 |
| InChI Key | TWRMPJKEQKPLJO-LIOJJOQBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21NO |
| Molecular Weight | 243.34 g/mol |
| Exact Mass | 243.162314293 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2E,4Z)-N-[(2S)-2-methylbutyl]undeca-2,4-dien-8,10-diynamide](https://plantaedb.com/storage/docs/compounds/2023/11/2e4z-n-2s-2-methylbutylundeca-24-dien-810-diynamide.jpg "2D Structure of (2E,4Z)-N-[(2S)-2-methylbutyl]undeca-2,4-dien-8,10-diynamide")
| 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 | 95.80% | 90.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.68% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.06% | 98.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.68% | 97.47% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.25% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.88% | 96.00% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.69% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.41% | 96.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 87.10% | 95.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.72% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.69% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.51% | 96.38% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.51% | 89.63% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.74% | 98.57% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.42% | 98.59% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.05% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.42% | 95.93% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.23% | 94.33% |
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 ciliata |
| Echinacea purpurea |
| PubChem | 163016944 |
| LOTUS | LTS0130259 |
| wikiData | Q105266042 |