(1S,2S,4R,5R)-2-Bromo-1-bromomethyl-1,4-dichloro-5-((E)-2-chloro-vinyl)-5-methyl-cyclohexane
| Internal ID | 6ca42fca-43ec-464e-82ce-1dc70612dfda |
| Taxonomy | Organohalogen compounds > Alkyl halides > Cyclohexyl halides |
| IUPAC Name | (1S,2S,4R,5R)-2-bromo-1-(bromomethyl)-1,4-dichloro-5-[(E)-2-chloroethenyl]-5-methylcyclohexane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H13Br2Cl3/c1-9(2-3-13)5-10(15,6-11)7(12)4-8(9)14/h2-3,7-8H,4-6H2,1H3/b3-2+/t7-,8+,9-,10-/m0/s1 |
| InChI Key | MMMYYEWTEBVZHZ-MZXHXKKRSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C10H13Br2Cl3 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 397.84291 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 5.20 |
| (1S,2S,4R,5R)-2-bromo-1-(bromomethyl)-1,4-dichloro-5-[(E)-2-chlorovinyl]-5-methyl-cyclohexane |
| (1S,2S,4R,5R)-2-Bromo-1-bromomethyl-1,4-dichloro-5-((E)-2-chloro-vinyl)-5-methyl-cyclohexane |
| (1S,2S,4R,5R,1'E)-2-Bromo-1-bromomethyl-1,4-dichloro-5-(-2-chloroethenyl)-5-methylcyclohexane |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.30% | 97.25% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.08% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.56% | 90.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.05% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.80% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 88.60% | 95.69% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 86.99% | 91.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.84% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.53% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.45% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.40% | 91.11% |
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 | 6475605 |
| LOTUS | LTS0069378 |
| wikiData | Q105167908 |