[2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate
| Internal ID | 90458773-7937-42bb-ac93-a44cd07a068d |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [2-octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC |
| SMILES (Isomeric) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC |
| InChI | InChI=1S/C51H84O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,39-41,44-52,55-60H,3-4,9-10,15-16,21-38H2,1-2H3 |
| InChI Key | KDYAPQVYJXUQNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C51H84O15 |
| Molecular Weight | 937.20 g/mol |
| Exact Mass | 936.58102197 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of [2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/b90392c0-8302-11ee-8377-55c7435e049e.jpg "2D Structure of [2-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] octadeca-9,12,15-trienoate")
| 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 | 98.53% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.11% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.19% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.30% | 96.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.22% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.07% | 94.73% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.98% | 85.94% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 84.72% | 92.32% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.13% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.22% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.46% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.29% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.49% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.09% | 86.33% |
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.
| Arabidopsis thaliana |
| Capsicum annuum |
| Carallia brachiata |
| Ipomoea batatas |
| Klasea centauroides subsp. strangulata |
| Lycium barbarum |
| Ranunculus fluitans |
| PubChem | 25200977 |
| LOTUS | LTS0123161 |
| wikiData | Q104667674 |