2,3-Bis[7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoyloxy]propyl 7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoate
| Internal ID | 55edfff4-9ff8-4c7b-937c-b81f7ce22249 |
| Taxonomy | Lipids and lipid-like molecules > Glycerolipids > Triradylcglycerols > Triacylglycerols |
| IUPAC Name | 2,3-bis[7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoyloxy]propyl 7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoate |
| SMILES (Canonical) | CCC=CC=CCCCC1C(O1)C#CC#CCCC(=O)OCC(COC(=O)CCC#CC#CC2C(O2)CCCC=CC=CCC)OC(=O)CCC#CC#CC3C(O3)CCCC=CC=CCC |
| SMILES (Isomeric) | CCC=CC=CCCCC1C(O1)C#CC#CCCC(=O)OCC(COC(=O)CCC#CC#CC2C(O2)CCCC=CC=CCC)OC(=O)CCC#CC#CC3C(O3)CCCC=CC=CCC |
| InChI | InChI=1S/C57H68O9/c1-4-7-10-13-16-19-28-37-49-52(64-49)40-31-22-25-34-43-55(58)61-46-48(63-57(60)45-36-27-24-33-42-54-51(66-54)39-30-21-18-15-12-9-6-3)47-62-56(59)44-35-26-23-32-41-53-50(65-53)38-29-20-17-14-11-8-5-2/h7-18,48-54H,4-6,19-21,28-30,34-39,43-47H2,1-3H3 |
| InChI Key | DXOVAENMTDGRER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C57H68O9 |
| Molecular Weight | 897.10 g/mol |
| Exact Mass | 896.48633374 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 11.10 |
| There are no found synonyms. |
![2D Structure of 2,3-Bis[7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoyloxy]propyl 7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoate](https://plantaedb.com/storage/docs/compounds/2023/11/42c69cd0-8637-11ee-8c2d-edaaf60cfeb2.jpg "2D Structure of 2,3-Bis[7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoyloxy]propyl 7-(3-nona-4,6-dienyloxiran-2-yl)hepta-4,6-diynoate")
| 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 | 96.36% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.18% | 99.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.51% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.92% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.97% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.85% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.12% | 89.34% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.57% | 97.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.11% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.66% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.46% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.53% | 83.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.20% | 96.47% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162848621 |
| LOTUS | LTS0032799 |
| wikiData | Q103818780 |