(6S)-6-ethyl-6-methylmorpholin-3-one
| Internal ID | 436af52f-8d83-4a11-bc0a-1140c4ec109a |
| Taxonomy | Organoheterocyclic compounds > Oxazines > 1,4-oxazines |
| IUPAC Name | (6S)-6-ethyl-6-methylmorpholin-3-one |
| SMILES (Canonical) | CCC1(CNC(=O)CO1)C |
| SMILES (Isomeric) | CC[C@]1(CNC(=O)CO1)C |
| InChI | InChI=1S/C7H13NO2/c1-3-7(2)5-8-6(9)4-10-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1 |
| InChI Key | IJEQWFCLXUMQSZ-ZETCQYMHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.18 g/mol |
| Exact Mass | 143.094628657 g/mol |
| Topological Polar Surface Area (TPSA) | 38.30 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.17% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.57% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.99% | 98.59% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.50% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.32% | 85.30% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.80% | 96.77% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.77% | 94.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.48% | 94.73% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.50% | 97.79% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.09% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.01% | 100.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.85% | 88.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162867186 |
| LOTUS | LTS0234367 |
| wikiData | Q105113914 |