[2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate
| Internal ID | 257a2e6a-d61b-4d85-810b-b2bc2a613fe5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [2-acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate |
| SMILES (Canonical) | CCCCCCCCCCC1CC(C(=O)O1)CC(COC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CCCCCCCCCCC1CC(C(=O)O1)CC(COC(=O)C)OC(=O)C |
| InChI | InChI=1S/C21H36O6/c1-4-5-6-7-8-9-10-11-12-19-13-18(21(24)27-19)14-20(26-17(3)23)15-25-16(2)22/h18-20H,4-15H2,1-3H3 |
| InChI Key | NGPDWZZUXGGLNN-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H36O6 |
| Molecular Weight | 384.50 g/mol |
| Exact Mass | 384.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-acetyloxy-3-5-decyl-2-oxooxolan-3-ylpropyl-acetate.jpg "2D Structure of [2-Acetyloxy-3-(5-decyl-2-oxooxolan-3-yl)propyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.78% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.48% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.27% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.10% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.69% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.68% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.82% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.37% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.42% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.15% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.73% | 90.08% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.69% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.57% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.41% | 98.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.94% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.82% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.54% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.33% | 86.33% |
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.
| Sextonia rubra |
| PubChem | 162911237 |
| LOTUS | LTS0097485 |
| wikiData | Q104172490 |