1,1-Dibromoheptan-2-yl acetate
| Internal ID | 823fc4a3-90aa-4089-903c-0723ec4c7a42 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
| IUPAC Name | 1,1-dibromoheptan-2-yl acetate |
| SMILES (Canonical) | CCCCCC(C(Br)Br)OC(=O)C |
| SMILES (Isomeric) | CCCCCC(C(Br)Br)OC(=O)C |
| InChI | InChI=1S/C9H16Br2O2/c1-3-4-5-6-8(9(10)11)13-7(2)12/h8-9H,3-6H2,1-2H3 |
| InChI Key | MYUVWSPZLFHJGG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C9H16Br2O2 |
| Molecular Weight | 316.03 g/mol |
| Exact Mass | 315.94966 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.85% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.01% | 85.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.26% | 97.21% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.91% | 93.56% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.08% | 92.86% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.40% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.13% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.13% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.82% | 100.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.98% | 98.03% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.89% | 92.08% |
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 | 10519456 |
| LOTUS | LTS0156509 |
| wikiData | Q105175200 |