methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate
| Internal ID | 79b7de0e-55f0-42fc-8dc7-44ca0a684506 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohol esters |
| IUPAC Name | methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC=CC#CC#CC=CC(=O)OC |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)OC/C=C\C#CC#C/C=C/C(=O)OC |
| InChI | InChI=1S/C16H16O4/c1-4-14(2)16(18)20-13-11-9-7-5-6-8-10-12-15(17)19-3/h4,9-12H,13H2,1-3H3/b11-9-,12-10+,14-4- |
| InChI Key | BYGJMPLSVFUVSR-QPXDZNINSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.29 g/mol |
| Exact Mass | 272.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.90 |
| Methyl 10-((2Z)-2-methylbut-2-enoyloxy)(8Z,2E)deca-2,8-dien-4,6-diynoate |
![2D Structure of methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-4,6-diynoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2e8z-10-z-2-methylbut-2-enoyloxydeca-28-dien-46-diynoate.jpg "2D Structure of methyl (2E,8Z)-10-[(Z)-2-methylbut-2-enoyl]oxydeca-2,8-dien-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 | 94.90% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.79% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.05% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.72% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.60% | 99.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.96% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.53% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.70% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.57% | 90.17% |
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.
| Baccharis quitensis |
| Solidago canadensis |
| PubChem | 6475134 |
| LOTUS | LTS0089720 |
| wikiData | Q104949231 |