N-[(2R,3S)-3-hydroxyundecan-2-yl]acetamide
| Internal ID | 77e60feb-5997-4ce1-89e1-8435cc8f4550 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Acetamides |
| IUPAC Name | N-[(2R,3S)-3-hydroxyundecan-2-yl]acetamide |
| SMILES (Canonical) | CCCCCCCCC(C(C)NC(=O)C)O |
| SMILES (Isomeric) | CCCCCCCC[C@@H]([C@@H](C)NC(=O)C)O |
| InChI | InChI=1S/C13H27NO2/c1-4-5-6-7-8-9-10-13(16)11(2)14-12(3)15/h11,13,16H,4-10H2,1-3H3,(H,14,15)/t11-,13+/m1/s1 |
| InChI Key | ALYVSRVEIXQWJX-YPMHNXCESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H27NO2 |
| Molecular Weight | 229.36 g/mol |
| Exact Mass | 229.204179104 g/mol |
| Topological Polar Surface Area (TPSA) | 49.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of N-[(2R,3S)-3-hydroxyundecan-2-yl]acetamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-2r3s-3-hydroxyundecan-2-ylacetamide.jpg "2D Structure of N-[(2R,3S)-3-hydroxyundecan-2-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.37% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.96% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 96.43% | 97.29% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 95.11% | 92.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.42% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.28% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.03% | 96.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.63% | 87.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.36% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.62% | 100.00% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 86.21% | 95.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.99% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.63% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.30% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.41% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.39% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.83% | 92.08% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.65% | 92.29% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.26% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.92% | 91.11% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.83% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.62% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.49% | 90.71% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.41% | 85.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.17% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.15% | 91.24% |
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 | 44424871 |
| LOTUS | LTS0093954 |
| wikiData | Q104914452 |