(2-Hexanoyloxy-3-tetradecanoyloxypropyl) tetradecanoate
| Internal ID | fcfdfada-ed46-4ed1-884a-50e6e79f31b8 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | (2-hexanoyloxy-3-tetradecanoyloxypropyl) tetradecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCC |
| InChI | InChI=1S/C37H70O6/c1-4-7-10-12-14-16-18-20-22-24-27-29-35(38)41-32-34(43-37(40)31-26-9-6-3)33-42-36(39)30-28-25-23-21-19-17-15-13-11-8-5-2/h34H,4-33H2,1-3H3 |
| InChI Key | UFWKHGDIQGGVAN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H70O6 |
| Molecular Weight | 610.90 g/mol |
| Exact Mass | 610.51723995 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 14.40 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL1293235 | P02545 | Prelamin-A/C |
17.8 nM |
Potency |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.71% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.62% | 96.09% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 94.65% | 85.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.57% | 95.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.19% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.48% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 92.05% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.72% | 92.50% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.21% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.02% | 89.63% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.50% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.17% | 96.95% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.33% | 91.81% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.70% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.65% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.37% | 100.00% |
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.
| Cirsium arvense |
| PubChem | 87173407 |
| LOTUS | LTS0119220 |
| wikiData | Q105272181 |