N-[(5R)-1,1,1-trichloroundecan-5-yl]acetamide
| Internal ID | 841347f1-b839-4fb9-95d1-ef01f7391e52 |
| Taxonomy | Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids |
| IUPAC Name | N-[(5R)-1,1,1-trichloroundecan-5-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H24Cl3NO/c1-3-4-5-6-8-12(17-11(2)18)9-7-10-13(14,15)16/h12H,3-10H2,1-2H3,(H,17,18)/t12-/m1/s1 |
| InChI Key | PMBAZTIKQVXAJA-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H24Cl3NO |
| Molecular Weight | 316.70 g/mol |
| Exact Mass | 315.092347 g/mol |
| Topological Polar Surface Area (TPSA) | 29.10 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of N-[(5R)-1,1,1-trichloroundecan-5-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-5r-111-trichloroundecan-5-ylacetamide.jpg "2D Structure of N-[(5R)-1,1,1-trichloroundecan-5-yl]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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.33% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.92% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.52% | 98.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.36% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.09% | 96.09% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 91.42% | 92.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 91.28% | 85.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.99% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.34% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.17% | 89.34% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.10% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.04% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 87.80% | 91.81% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.28% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.55% | 94.45% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.38% | 96.90% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.95% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.94% | 98.59% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.86% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.85% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.16% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.10% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.21% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.91% | 98.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.50% | 89.63% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.12% | 95.93% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.08% | 87.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162951744 |
| LOTUS | LTS0070717 |
| wikiData | Q105211368 |