Methyl 2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dienoate
| Internal ID | 1af03b0a-1d6d-4ce5-a97c-e7dff16ee2fd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-15(9-7-10-17(3)19(21)22-6)12-13-18-16(2)11-8-14-20(18,4)5/h7,9-10,17H,8,11-14H2,1-6H3 |
| InChI Key | AGZLWVWHDVCYDK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.46% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.45% | 96.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.32% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.58% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.28% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.60% | 95.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.29% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.89% | 97.25% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.78% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.01% | 91.07% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.83% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.39% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.46% | 90.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.21% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.78% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.19% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.64% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.68% | 96.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.33% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.02% | 95.56% |
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 | 72739765 |
| LOTUS | LTS0071247 |
| wikiData | Q104912125 |