2-(2-Methyloctadec-2-enoylamino)propyl acetate
| Internal ID | 68c48f3f-6031-400f-8c45-ae7519212b59 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 2-(2-methyloctadec-2-enoylamino)propyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H45NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)24(27)25-22(3)20-28-23(4)26/h19,22H,5-18,20H2,1-4H3,(H,25,27) |
| InChI Key | HMEVPMUFHLUBFU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H45NO3 |
| Molecular Weight | 395.60 g/mol |
| Exact Mass | 395.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 8.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 97.80% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.12% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.79% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 93.44% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.75% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.55% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.78% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.86% | 97.21% |
| CHEMBL240 | Q12809 | HERG | 90.40% | 89.76% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.21% | 85.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.93% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.58% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.99% | 98.03% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.64% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.20% | 87.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.67% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.43% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.32% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.94% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.87% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.58% | 94.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.37% | 92.08% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.89% | 96.95% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.57% | 90.24% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.47% | 95.71% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.31% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.95% | 91.81% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 72971364 |
| LOTUS | LTS0122194 |
| wikiData | Q104167994 |