N-[(1R)-1-[4-[(1E,3E)-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide
| Internal ID | 5ed7d7fe-a595-4b67-935d-bff5534d1712 |
| Taxonomy | Organoheterocyclic compounds > Azoles > Thiazoles > 2,4-disubstituted thiazoles |
| IUPAC Name | N-[(1R)-1-[4-[(1E,3E)-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H16N2O2S/c1-9(16)6-4-5-7-12-8-18-13(15-12)10(2)14-11(3)17/h4-8,10H,1-3H3,(H,14,17)/b6-4+,7-5+/t10-/m1/s1 |
| InChI Key | YKHHKBSKLKQAKB-YZABNELQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H16N2O2S |
| Molecular Weight | 264.35 g/mol |
| Exact Mass | 264.09324893 g/mol |
| Topological Polar Surface Area (TPSA) | 87.30 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of N-[(1R)-1-[4-[(1E,3E)-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-1r-1-4-1e3e-5-oxohexa-13-dienyl-13-thiazol-2-ylethylacetamide.jpg "2D Structure of N-[(1R)-1-[4-[(1E,3E)-5-oxohexa-1,3-dienyl]-1,3-thiazol-2-yl]ethyl]acetamide")
| 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 | 89.94% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.14% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.96% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.91% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.26% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.03% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.02% | 94.45% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 85.26% | 81.88% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.92% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.62% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.56% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.32% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.16% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.21% | 93.10% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.22% | 92.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 80.78% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.54% | 96.90% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.07% | 85.30% |
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 | 163190696 |
| LOTUS | LTS0049637 |
| wikiData | Q105349686 |