[4-Bromo-2-(5-bromo-2,6,6-trimethyloxan-2-yl)-5-chloro-5-methylcyclohexyl] acetate
| Internal ID | 15d1b90f-3fc8-4795-8898-181927d61c54 |
| Taxonomy | Organohalogen compounds > Alkyl halides > Cyclohexyl halides |
| IUPAC Name | [4-bromo-2-(5-bromo-2,6,6-trimethyloxan-2-yl)-5-chloro-5-methylcyclohexyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H27Br2ClO3/c1-10(21)22-12-9-16(4,20)14(19)8-11(12)17(5)7-6-13(18)15(2,3)23-17/h11-14H,6-9H2,1-5H3 |
| InChI Key | FLSDGNYXFPEZAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H27Br2ClO3 |
| Molecular Weight | 474.70 g/mol |
| Exact Mass | 473.99950 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of [4-Bromo-2-(5-bromo-2,6,6-trimethyloxan-2-yl)-5-chloro-5-methylcyclohexyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-bromo-2-5-bromo-266-trimethyloxan-2-yl-5-chloro-5-methylcyclohexyl-acetate.jpg "2D Structure of [4-Bromo-2-(5-bromo-2,6,6-trimethyloxan-2-yl)-5-chloro-5-methylcyclohexyl] acetate")
| 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 | 96.68% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.62% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.10% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.99% | 96.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.14% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.41% | 91.19% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.39% | 95.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.35% | 96.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.31% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.73% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.63% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.30% | 96.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.29% | 89.05% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 84.29% | 95.71% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.35% | 92.29% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.29% | 96.61% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.89% | 95.69% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.88% | 92.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.04% | 100.00% |
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 | 75058309 |
| LOTUS | LTS0066452 |
| wikiData | Q104997443 |