(E,4R)-1-bromo-1,2,4-trichlorooct-1-en-3-one
| Internal ID | a0c3e80a-59a6-4698-9e74-aa27598f9a3f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha,beta-unsaturated ketones > Alpha-branched alpha,beta-unsaturated ketones |
| IUPAC Name | (E,4R)-1-bromo-1,2,4-trichlorooct-1-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C8H10BrCl3O/c1-2-3-4-5(10)7(13)6(11)8(9)12/h5H,2-4H2,1H3/b8-6-/t5-/m1/s1 |
| InChI Key | PPVKEUQLUHYWNS-JVMJCINISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C8H10BrCl3O |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 305.89806 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 95.68% | 85.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.48% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.37% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.96% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.44% | 90.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.43% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.39% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.10% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.12% | 93.56% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 85.75% | 92.29% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.50% | 97.21% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.75% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.40% | 94.73% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.11% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.20% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.86% | 91.81% |
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 | 162921657 |
| LOTUS | LTS0057956 |
| wikiData | Q105213059 |