[3-(3-Methylbutanoyloxy)-2-tetradecanoyloxypropyl] tetradecanoate
| Internal ID | b495fbbd-f2d1-484a-875e-527d5f7dd697 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | [3-(3-methylbutanoyloxy)-2-tetradecanoyloxypropyl] tetradecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H68O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-34(37)40-30-33(31-41-36(39)29-32(3)4)42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3 |
| InChI Key | JVFXNWJEQUQDKK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H68O6 |
| Molecular Weight | 596.90 g/mol |
| Exact Mass | 596.50158988 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 13.70 |
| There are no found synonyms. |
![2D Structure of [3-(3-Methylbutanoyloxy)-2-tetradecanoyloxypropyl] tetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/3-3-methylbutanoyloxy-2-tetradecanoyloxypropyl-tetradecanoate.jpg "2D Structure of [3-(3-Methylbutanoyloxy)-2-tetradecanoyloxypropyl] tetradecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.63% | 85.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.44% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.97% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.26% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.24% | 98.03% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.23% | 95.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 89.45% | 89.63% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.73% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.22% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.62% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.51% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.04% | 96.95% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.83% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.28% | 97.21% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.00% | 97.79% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.48% | 100.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.33% | 87.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.64% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.84% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.77% | 82.50% |
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.
| Metalasia cymbifolia |
| PubChem | 14608516 |
| LOTUS | LTS0079645 |
| wikiData | Q105135682 |