(2s)-2-Acetoxynonane
| Internal ID | b012420d-147d-4d33-aaf5-7798b6630802 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [(2S)-nonan-2-yl] acetate |
| SMILES (Canonical) | CCCCCCCC(C)OC(=O)C |
| SMILES (Isomeric) | CCCCCCC[C@H](C)OC(=O)C |
| InChI | InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3/t10-/m0/s1 |
| InChI Key | GSUGVJOUDSLEBL-JTQLQIEISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 g/mol |
| Exact Mass | 186.161979940 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.00 |
| SCHEMBL9559519 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.63% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.17% | 97.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.86% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 92.01% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.02% | 93.56% |
| CHEMBL240 | Q12809 | HERG | 88.61% | 89.76% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.41% | 97.25% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.15% | 97.21% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.05% | 87.45% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.16% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.17% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.14% | 96.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.83% | 83.82% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.41% | 89.63% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 83.97% | 85.94% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.06% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.41% | 91.81% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.79% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.04% | 94.73% |
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.
| Ruta graveolens |
| PubChem | 13240755 |
| LOTUS | LTS0086144 |
| wikiData | Q105017779 |