1-a-Linolenoyl-2-palmitoyl-3-a-linolenoyl-glycerol
| Internal ID | 9974ed99-90a3-440c-8f62-f30867dd96cf |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | [2-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
| InChI | InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,52H,4-6,9,12-15,18,21-24,29-51H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26- |
| InChI Key | RHWAKRNYKAWEPQ-HTINPRBKSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C55H94O6 |
| Molecular Weight | 851.30 g/mol |
| Exact Mass | 850.70504071 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 19.50 |
| Tracylglycerol(18:3w3/16:0/18:3w3) |
| TAG(18:3n3/16:0/18:3n3) |
| TAG(18:3w3/16:0/18:3w3) |
| TG(18:3n3/16:0/18:3n3) |
| TG(18:3w3/16:0/18:3w3) |
| 1-a-linolenoyl-2-palmitoyl-3-a-linolenoyl-glycerol |
| 1-alpha-linolenoyl-2-palmitoyl-3-alpha-linolenoyl-glycerol |
| TG(18:3(9Z,12Z,15Z)/16:0/18:3(9Z,12Z,15Z)) |
| 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 | 98.80% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.24% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.72% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.14% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.68% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.38% | 89.63% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.26% | 97.29% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.36% | 95.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.03% | 92.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.30% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.85% | 97.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.17% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.02% | 96.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.90% | 92.86% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.18% | 98.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.18% | 93.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.14% | 97.21% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.71% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.65% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.50% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.37% | 91.81% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.62% | 91.11% |
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.
| Ocimum tenuiflorum |
| PubChem | 10724251 |
| LOTUS | LTS0242966 |
| wikiData | Q76415932 |