Methyl 6,7,16-tris(trimethylsilyloxy)heptadecanoate
| Internal ID | 3fa87813-cc07-44f4-8949-192694349ddb |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Fatty acid methyl esters |
| IUPAC Name | methyl 6,7,16-tris(trimethylsilyloxy)heptadecanoate |
| SMILES (Canonical) | CC(CCCCCCCCC(C(CCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| SMILES (Isomeric) | CC(CCCCCCCCC(C(CCCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C |
| InChI | InChI=1S/C27H60O5Si3/c1-24(30-33(3,4)5)20-16-14-12-13-15-17-21-25(31-34(6,7)8)26(32-35(9,10)11)22-18-19-23-27(28)29-2/h24-26H,12-23H2,1-11H3 |
| InChI Key | VZFQQOXLVSMGOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H60O5Si3 |
| Molecular Weight | 549.00 g/mol |
| Exact Mass | 548.37485461 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
| 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 | 98.10% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.73% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.91% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.11% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.59% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.77% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.43% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.54% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.43% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.35% | 94.73% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.79% | 96.90% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.26% | 94.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.84% | 96.47% |
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.
| Rosmarinus officinalis |
| PubChem | 162911042 |
| LOTUS | LTS0147999 |
| wikiData | Q105299745 |