[2-(4,6-Dimethyloct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-acetyloxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
| Internal ID | 751b3b39-ab21-4e92-958c-6adcb1e5b700 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | [2-(4,6-dimethyloct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-acetyloxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H40O7/c1-7-18(2)14-20(4)15-21(5)27-24(9-11-26(31)34-27)33-25(30)10-8-19(3)16-23(17-28)12-13-32-22(6)29/h7-11,16,20-21,23-24,27-28H,12-15,17H2,1-6H3 |
| InChI Key | LCDKUZKKOVUODK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O7 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.27740361 g/mol |
| Topological Polar Surface Area (TPSA) | 99.10 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of [2-(4,6-Dimethyloct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-acetyloxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/5e231460-871d-11ee-a444-ff1badb4388f.jpg "2D Structure of [2-(4,6-Dimethyloct-6-en-2-yl)-6-oxo-2,3-dihydropyran-3-yl] 8-acetyloxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate")
| 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 | 93.48% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.37% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.03% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.04% | 83.82% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.41% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.49% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.02% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.73% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.74% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.31% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.59% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.01% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.28% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.88% | 91.19% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 85425947 |
| LOTUS | LTS0058894 |
| wikiData | Q104170810 |