Dimethyl 2-ethyl-3-methylbut-2-enedioate
| Internal ID | a2814ff2-34f3-4810-abdd-32a52c7ca44d |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | dimethyl 2-ethyl-3-methylbut-2-enedioate |
| SMILES (Canonical) | CCC(=C(C)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | CCC(=C(C)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C9H14O4/c1-5-7(9(11)13-4)6(2)8(10)12-3/h5H2,1-4H3 |
| InChI Key | ALSBSLYSTXSJQN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H14O4 |
| Molecular Weight | 186.20 g/mol |
| Exact Mass | 186.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 1.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.34% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.37% | 94.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.65% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.48% | 85.14% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.01% | 98.59% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.47% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.46% | 98.95% |
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.
| Nicotiana tabacum |
| PubChem | 593028 |
| LOTUS | LTS0147264 |
| wikiData | Q104914317 |