(E)-2,4,6-trimethyloct-2-enoic acid
| Internal ID | 0f8fc089-901c-4b01-8e18-1b22eb3d1627 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Acyclic monoterpenoids |
| IUPAC Name | (E)-2,4,6-trimethyloct-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C11H20O2/c1-5-8(2)6-9(3)7-10(4)11(12)13/h7-9H,5-6H2,1-4H3,(H,12,13)/b10-7+ |
| InChI Key | JFYAXXZUKVGZAG-JXMROGBWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.27 g/mol |
| Exact Mass | 184.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.60 |
| (E)-2,4,6-trimethyloct-2-enoic acid |
| CHEBI:205451 |
| 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 | 92.19% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.23% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.92% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.36% | 90.17% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.67% | 92.29% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.94% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 83.70% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.58% | 89.34% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.52% | 96.47% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.02% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.02% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.48% | 93.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.43% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.21% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.01% | 95.93% |
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.
| There are no matching plants. |
| PubChem | 24740399 |
| LOTUS | LTS0177556 |
| wikiData | Q77424564 |