(E)-2,6-Dimethylocta-5,7-dien-4-one
| Internal ID | 1648ff14-0d42-4231-9fde-10b7a22e24ae |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > Enones |
| IUPAC Name | (5E)-2,6-dimethylocta-5,7-dien-4-one |
| SMILES (Canonical) | CC(C)CC(=O)C=C(C)C=C |
| SMILES (Isomeric) | CC(C)CC(=O)/C=C(\C)/C=C |
| InChI | InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7+ |
| InChI Key | RJXKHBTYHGBOKV-VQHVLOKHSA-N |
| Popularity | 40 references in papers |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.23 g/mol |
| Exact Mass | 152.120115130 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.10 |
| trans-Tagetone |
| (E)-2,6-Dimethylocta-5,7-dien-4-one |
| 6752-80-3 |
| Tagetone, (E)- |
| (5E)-2,6-dimethylocta-5,7-dien-4-one |
| 9V8N4C9UN5 |
| 5,7-Octadien-4-one, 2,6-dimethyl-, (E)- |
| UNII-9V8N4C9UN5 |
| EINECS 229-813-0 |
| TAGETONE, TRANS- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 92.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.24% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.32% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.88% | 97.21% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.65% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.03% | 96.95% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.97% | 87.45% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 80.88% | 82.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.69% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.42% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.22% | 94.73% |
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.
| Brucea javanica |
| Lippia dauensis |
| Lippia multiflora |
| Pistacia vera |
| Swertia japonica |
| Tagetes erecta |
| Tagetes minuta |
| PubChem | 5368938 |
| LOTUS | LTS0264297 |
| wikiData | Q27273267 |