ethyl (2R)-2-bromo-2-iodoacetate
| Internal ID | 0af90353-646a-41af-9eb7-b75e881737fd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Alpha-halocarboxylic acids and derivatives > Alpha-halocarboxylic acid derivatives |
| IUPAC Name | ethyl (2R)-2-bromo-2-iodoacetate |
| SMILES (Canonical) | CCOC(=O)C(Br)I |
| SMILES (Isomeric) | CCOC(=O)[C@H](Br)I |
| InChI | InChI=1S/C4H6BrIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3/t3-/m1/s1 |
| InChI Key | CVMRTPHUCUFKLQ-GSVOUGTGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C4H6BrIO2 |
| Molecular Weight | 292.90 g/mol |
| Exact Mass | 291.85959 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 2.10 |
| 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 | 94.40% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.67% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.27% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.56% | 90.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.53% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.04% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.88% | 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.
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| There are no matching plants. |
| PubChem | 162852165 |
| LOTUS | LTS0079667 |
| wikiData | Q104970883 |