N-(2-Methylbutyl)dodeca-2,4-diene-8,10-diynamide
| Internal ID | f5dc7c70-239a-4db4-9ea9-ef3693489d48 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines |
| IUPAC Name | N-(2-methylbutyl)dodeca-2,4-dien-8,10-diynamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CC=CCCC#CC#CC |
| SMILES (Isomeric) | CCC(C)CNC(=O)C=CC=CCCC#CC#CC |
| InChI | InChI=1S/C17H23NO/c1-4-6-7-8-9-10-11-12-13-14-17(19)18-15-16(3)5-2/h11-14,16H,5,9-10,15H2,1-3H3,(H,18,19) |
| InChI Key | BILULZPLQWTTIT-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 | 4.10 |
| N-(2-Methylbutyl)dodeca-2,4-diene-8,10-diynamide |
| DTXSID60766817 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.16% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.20% | 96.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.99% | 90.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.85% | 97.47% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.20% | 95.71% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.85% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.40% | 98.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.19% | 96.47% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.44% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.31% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.04% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.04% | 96.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.49% | 94.33% |
| CHEMBL4015 | P41597 | C-C chemokine receptor type 2 | 81.93% | 98.57% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.22% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.14% | 97.29% |
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 angustifolia |
| Echinacea purpurea |
| PubChem | 71339373 |
| LOTUS | LTS0085394 |
| wikiData | Q82724425 |