11-(5-Ethyl-6-methoxy-3-methyl-4-oxopyran-2-yl)undecan-2-yl acetate
| Internal ID | c048e7ca-9a48-461c-a994-fdeae546db29 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | 11-(5-ethyl-6-methoxy-3-methyl-4-oxopyran-2-yl)undecan-2-yl acetate |
| SMILES (Canonical) | CCC1=C(OC(=C(C1=O)C)CCCCCCCCCC(C)OC(=O)C)OC |
| SMILES (Isomeric) | CCC1=C(OC(=C(C1=O)C)CCCCCCCCCC(C)OC(=O)C)OC |
| InChI | InChI=1S/C22H36O5/c1-6-19-21(24)17(3)20(27-22(19)25-5)15-13-11-9-7-8-10-12-14-16(2)26-18(4)23/h16H,6-15H2,1-5H3 |
| InChI Key | QCTRNBWSZZRRNY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H36O5 |
| Molecular Weight | 380.50 g/mol |
| Exact Mass | 380.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.94% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 90.17% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.61% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.80% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.35% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.72% | 83.82% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.26% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.25% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.62% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.41% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.99% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.26% | 99.23% |
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.
| Podolepis hieracioides |
| PubChem | 162937801 |
| LOTUS | LTS0137929 |
| wikiData | Q105218591 |