2-(2-Methylicosa-2,6-dienoylamino)ethyl acetate
| Internal ID | 3f46edab-f1ce-4973-b4d4-8053bd658f2d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 2-(2-methylicosa-2,6-dienoylamino)ethyl acetate |
| SMILES (Canonical) | CCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCOC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCOC(=O)C |
| InChI | InChI=1S/C25H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)25(28)26-21-22-29-24(3)27/h16-17,20H,4-15,18-19,21-22H2,1-3H3,(H,26,28) |
| InChI Key | QXKJTHBWYQHGEY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H45NO3 |
| Molecular Weight | 407.60 g/mol |
| Exact Mass | 407.33994430 g/mol |
| Topological Polar Surface Area (TPSA) | 55.40 Ų |
| XlogP | 8.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.25% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.83% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.17% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.89% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.93% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.28% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.47% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.19% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.09% | 91.11% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 86.93% | 91.81% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.63% | 95.71% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.92% | 91.24% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 85.75% | 86.67% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.28% | 94.33% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.02% | 97.00% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 84.79% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.24% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.96% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.16% | 92.86% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.16% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.97% | 98.75% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.80% | 87.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.05% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.56% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.32% | 96.00% |
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.
| There are no matching plants. |
| PubChem | 85147384 |
| LOTUS | LTS0200278 |
| wikiData | Q104196311 |