[3-Acetyloxy-2-(2-methylbut-2-enoyloxy)propyl] nonanoate
| Internal ID | 535f122f-8319-4ae9-811e-e3821368894b |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | [3-acetyloxy-2-(2-methylbut-2-enoyloxy)propyl] nonanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H32O6/c1-5-7-8-9-10-11-12-18(21)24-14-17(13-23-16(4)20)25-19(22)15(3)6-2/h6,17H,5,7-14H2,1-4H3 |
| InChI Key | IAJAAIVOTUGIRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H32O6 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [3-Acetyloxy-2-(2-methylbut-2-enoyloxy)propyl] nonanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-acetyloxy-2-2-methylbut-2-enoyloxypropyl-nonanoate.jpg "2D Structure of [3-Acetyloxy-2-(2-methylbut-2-enoyloxy)propyl] nonanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.62% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 97.30% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.41% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 93.95% | 95.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 93.80% | 97.29% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.05% | 92.08% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.63% | 97.21% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 90.22% | 98.03% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.33% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.15% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.04% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.96% | 94.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.14% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.06% | 91.11% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.11% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.07% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.95% | 91.81% |
| CHEMBL240 | Q12809 | HERG | 81.49% | 89.76% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.13% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.73% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.67% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.12% | 90.17% |
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.
| Helichrysum argyrophyllum |
| PubChem | 162912683 |
| LOTUS | LTS0127405 |
| wikiData | Q105036126 |