2-Cyanoethyl-isoxazolin-5-one
| Internal ID | 91399964-67e1-4049-809c-08b5751a8d54 |
| Taxonomy | Organoheterocyclic compounds > Azolines > Isoxazolines > Isoxazolinones |
| IUPAC Name | 3-(5-oxo-4H-1,2-oxazol-3-yl)propanenitrile |
| SMILES (Canonical) | C1C(=NOC1=O)CCC#N |
| SMILES (Isomeric) | C1C(=NOC1=O)CCC#N |
| InChI | InChI=1S/C6H6N2O2/c7-3-1-2-5-4-6(9)10-8-5/h1-2,4H2 |
| InChI Key | QKRTVQFSQWOSED-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.12 g/mol |
| Exact Mass | 138.042927438 g/mol |
| Topological Polar Surface Area (TPSA) | 62.40 Ų |
| XlogP | -0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.51% | 92.51% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.92% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.64% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.98% | 94.80% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.13% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.87% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.70% | 86.00% |
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.
| Lathyrus odoratus |
| Lathyrus sativus |
| PubChem | 129701839 |
| LOTUS | LTS0245690 |
| wikiData | Q105223285 |