Delta 11 cis trioctadecenoin
| Internal ID | b3b17508-5696-44b2-97c3-fb73d502204d |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | 2,3-di(octadec-11-enoyloxy)propyl octadec-11-enoate |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC |
| SMILES (Isomeric) | CCCCCCC=CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC=CCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC |
| InChI | InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,54H,4-18,25-53H2,1-3H3 |
| InChI Key | JSSROPRCXOAGCW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C57H104O6 |
| Molecular Weight | 885.40 g/mol |
| Exact Mass | 884.78329103 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 22.40 |
| (11Z,11'Z,11''Z)-propane-1,2,3-triyl trioctadec-11-enoate |
| 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 | 98.66% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.65% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.96% | 96.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.56% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.23% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.87% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.67% | 89.63% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.34% | 95.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.29% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.45% | 96.95% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.48% | 92.86% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.71% | 97.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.40% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.30% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.98% | 91.19% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.52% | 91.81% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.02% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.48% | 93.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.28% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.19% | 91.11% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.99% | 94.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.08% | 83.00% |
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.
| Sciadopitys verticillata |
| PubChem | 72726441 |
| LOTUS | LTS0255936 |
| wikiData | Q105134556 |