[(E)-undec-8-enyl] 12-[(2S)-5,6-dioxo-1,4-dioxan-2-yl]dodecanoate
| Internal ID | 0feb0509-6305-4c77-b379-baf2a9e7b8e8 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Wax esters > Wax monoesters |
| IUPAC Name | [(E)-undec-8-enyl] 12-[(2S)-5,6-dioxo-1,4-dioxan-2-yl]dodecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H46O6/c1-2-3-4-5-6-10-13-16-19-22-31-25(28)21-18-15-12-9-7-8-11-14-17-20-24-23-32-26(29)27(30)33-24/h3-4,24H,2,5-23H2,1H3/b4-3+/t24-/m0/s1 |
| InChI Key | ZPLQRDDVBBPGNF-ODIYJBSKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H46O6 |
| Molecular Weight | 466.60 g/mol |
| Exact Mass | 466.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 9.00 |
| There are no found synonyms. |
![2D Structure of [(E)-undec-8-enyl] 12-[(2S)-5,6-dioxo-1,4-dioxan-2-yl]dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e-undec-8-enyl-12-2s-56-dioxo-14-dioxan-2-yldodecanoate.jpg "2D Structure of [(E)-undec-8-enyl] 12-[(2S)-5,6-dioxo-1,4-dioxan-2-yl]dodecanoate")
| 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 | 98.11% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.61% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.12% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.49% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.35% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.08% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 84.88% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 83.26% | 90.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.89% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.54% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.12% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.60% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.15% | 90.08% |
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.
| Lawsonia inermis |
| PubChem | 163040310 |
| LOTUS | LTS0093073 |
| wikiData | Q105380993 |