(Z)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
| Internal ID | bfb2eab6-93c7-43b1-99ca-40defbbde1c2 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | (Z)-N-(2-methylbutyl)undec-2-en-8,10-diynamide |
| SMILES (Canonical) | CCC(C)CNC(=O)C=CCCCCC#CC#C |
| SMILES (Isomeric) | CCC(C)CNC(=O)/C=C\CCCCC#CC#C |
| InChI | InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12- |
| InChI Key | GVXYCOGZGQWTFZ-SEYXRHQNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23NO |
| Molecular Weight | 245.36 g/mol |
| Exact Mass | 245.177964357 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 4.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.80% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.44% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.37% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.32% | 99.17% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 90.38% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.53% | 96.47% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.52% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.40% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.15% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.06% | 97.29% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.63% | 98.75% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.18% | 93.67% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.46% | 97.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.27% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.00% | 94.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.11% | 93.56% |
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 |
| PubChem | 14259837 |
| LOTUS | LTS0083139 |
| wikiData | Q105021998 |