Ethyl 3,6-di(butan-2-yl)-5-hydroxy-4-oxo-1,2,5-oxadiazine-6-carboxylate
| Internal ID | 938a4a20-5789-4c76-8382-cc55e97c4c84 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | ethyl 3,6-di(butan-2-yl)-5-hydroxy-4-oxo-1,2,5-oxadiazine-6-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H24N2O5/c1-6-9(4)11-12(17)16(19)14(21-15-11,10(5)7-2)13(18)20-8-3/h9-10,19H,6-8H2,1-5H3 |
| InChI Key | WRXCRISIINLULD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H24N2O5 |
| Molecular Weight | 300.35 g/mol |
| Exact Mass | 300.16852187 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.99% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.45% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.24% | 93.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.90% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.21% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.67% | 95.56% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.22% | 93.65% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.52% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.58% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.63% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.15% | 96.90% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 80.64% | 89.92% |
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.
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| There are no matching plants. |
| PubChem | 162814701 |
| LOTUS | LTS0096195 |
| wikiData | Q104200570 |