[2-(13-Methyltetradecanoyloxy)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 13-methyltetradecanoate
| Internal ID | 3bdcff43-d64b-4c39-8514-c91d62b823b8 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [2-(13-methyltetradecanoyloxy)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 13-methyltetradecanoate |
| SMILES (Canonical) | CC(C)CCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCC(C)C |
| SMILES (Isomeric) | CC(C)CCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCC(C)C |
| InChI | InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(47)55-28-33(58-37(48)26-22-18-14-10-6-8-12-16-20-24-32(3)4)29-56-44-43(54)41(52)39(50)35(60-44)30-57-45-42(53)40(51)38(49)34(27-46)59-45/h31-35,38-46,49-54H,5-30H2,1-4H3 |
| InChI Key | XUDTZIRAIGIFLQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C45H84O15 |
| Molecular Weight | 865.10 g/mol |
| Exact Mass | 864.58102197 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 8.60 |
| There are no found synonyms. |
![2D Structure of [2-(13-Methyltetradecanoyloxy)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 13-methyltetradecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a259f670-863f-11ee-9930-91281158f1ac.jpg "2D Structure of [2-(13-Methyltetradecanoyloxy)-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] 13-methyltetradecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.89% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 94.80% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.60% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.09% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.94% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.64% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.64% | 94.45% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.21% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.20% | 97.29% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.95% | 98.03% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.37% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.28% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.98% | 92.32% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.74% | 82.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.11% | 95.17% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.10% | 94.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.06% | 85.94% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.83% | 97.79% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.46% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.06% | 94.33% |
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 | 139588248 |
| LOTUS | LTS0060876 |
| wikiData | Q104201359 |