[2-Tetradecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate
| Internal ID | 6b32f3f0-2d9d-4d20-bd4d-e42449936fe9 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [2-tetradecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCC |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCC |
| InChI | InChI=1S/C39H74O10/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(41)46-30-32(31-47-39-38(45)37(44)36(43)33(29-40)49-39)48-35(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h32-33,36-40,43-45H,3-31H2,1-2H3 |
| InChI Key | CKBIDVMLGPCBEK-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H74O10 |
| Molecular Weight | 703.00 g/mol |
| Exact Mass | 702.52819855 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 11.40 |
| There are no found synonyms. |
![2D Structure of [2-Tetradecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-tetradecanoyloxy-3-345-trihydroxy-6-hydroxymethyloxan-2-yloxypropyl-hexadecanoate.jpg "2D Structure of [2-Tetradecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate")
| 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 | 97.66% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.27% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.02% | 92.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.85% | 85.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.98% | 98.03% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.79% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.79% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.58% | 95.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.45% | 92.86% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.09% | 83.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.01% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.94% | 94.73% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.38% | 82.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.26% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.07% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.71% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.16% | 96.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.88% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.36% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.81% | 97.79% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.62% | 91.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.29% | 97.25% |
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.
| There are no matching plants. |
| PubChem | 14825659 |
| LOTUS | LTS0216181 |
| wikiData | Q104962066 |