[6-[2,3-Di(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12,15-trienoate
| Internal ID | 366a5876-c430-4f98-bc93-7ca125f61d8d |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Glycosylglycerols > Glycosyldiacylglycerols |
| IUPAC Name | [6-[2,3-di(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCC=CCC=CCC)O)O)O |
| SMILES (Isomeric) | CCC=CCC=CCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OCC(COC(=O)CCCCCCCC=CCC=CCC=CCC)OC(=O)CCCCCCCC=CCC=CCC=CCC)O)O)O |
| InChI | InChI=1S/C63H102O11/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(64)70-52-55(73-59(66)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-72-63-62(69)61(68)60(67)56(74-63)54-71-58(65)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,55-56,60-63,67-69H,4-6,13-15,22-24,31-54H2,1-3H3 |
| InChI Key | QQGVNVSYEVFKPN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C63H102O11 |
| Molecular Weight | 1035.50 g/mol |
| Exact Mass | 1034.74221407 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 16.10 |
| There are no found synonyms. |
![2D Structure of [6-[2,3-Di(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12,15-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/28c1bb30-8656-11ee-a50c-c39b0c52027b.jpg "2D Structure of [6-[2,3-Di(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 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 | 98.32% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 95.12% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.24% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.91% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.69% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.48% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.20% | 94.73% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.36% | 96.47% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.26% | 85.94% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.26% | 83.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.96% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.94% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.88% | 94.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.62% | 97.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.61% | 94.80% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.15% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.85% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.47% | 90.17% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162946781 |
| LOTUS | LTS0041413 |
| wikiData | Q105225829 |