3-Bromo-6-(3-bromo-4-chloro-4-methylcyclohexyl)-2,2,6-trimethyloxane
| Internal ID | a96c344e-c994-41a0-914a-d3165eb69c7a |
| Taxonomy | Organohalogen compounds > Alkyl halides > Cyclohexyl halides |
| IUPAC Name | 3-bromo-6-(3-bromo-4-chloro-4-methylcyclohexyl)-2,2,6-trimethyloxane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H25Br2ClO/c1-13(2)11(16)6-8-15(4,19-13)10-5-7-14(3,18)12(17)9-10/h10-12H,5-9H2,1-4H3 |
| InChI Key | FIHHUYBIKUKVFD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H25Br2ClO |
| Molecular Weight | 416.60 g/mol |
| Exact Mass | 415.99402 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.74% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.30% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.04% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.12% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.20% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.84% | 96.43% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.23% | 85.30% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.20% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.72% | 96.77% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.66% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.17% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.95% | 91.11% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 81.52% | 88.84% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.02% | 95.69% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.08% | 96.95% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 14314410 |
| LOTUS | LTS0235588 |
| wikiData | Q104995703 |