Linolein
| Internal ID | 044860f6-6431-412d-b50a-774c5aaa4dab |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | 2,3-di(octadeca-9,12-dienoyloxy)propyl octadeca-9,12-dienoate |
| SMILES (Canonical) | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC |
| SMILES (Isomeric) | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC |
| InChI | InChI=1S/C57H98O6/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/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3 |
| InChI Key | HBOQXIRUPVQLKX-UHFFFAOYSA-N |
| Popularity | 85 references in papers |
| Molecular Formula | C57H98O6 |
| Molecular Weight | 879.40 g/mol |
| Exact Mass | 878.73634084 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 20.30 |
| Glycerol Tri-9,12-octadecadienoate |
| DTXSID70859466 |
| FT-0669028 |
| FT-0772653 |
| Propane-1,2,3-triyl trioctadeca-9,12-dienoate |
| Q3539173 |
| (9Z,9'Z,9''Z,12Z,12'Z,12''Z)-propane-1,2,3-triyl trioctadeca-9,12-dienoate |
| 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 | 98.69% | 99.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.03% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.64% | 89.63% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.68% | 92.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 88.99% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.17% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.60% | 96.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.85% | 97.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 84.85% | 95.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.75% | 98.03% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 84.57% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.02% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.82% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.65% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.27% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.91% | 93.56% |
| 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 | 81.41% | 94.33% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.37% | 91.81% |
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.
| Barringtonia asiatica |
| Bauhinia purpurea |
| Dirca palustris |
| Inezia integrifolia |
| Phoradendron reichenbachianum |
| Plumbago zeylanica |
| Sciadopitys verticillata |
| PubChem | 79042 |
| LOTUS | LTS0236992 |
| wikiData | Q105025411 |