2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane
| Internal ID | d386fcff-9a6a-4c45-bfd2-1810818d32d5 |
| Taxonomy | Organohalogen compounds > Alkyl halides > Cyclohexyl halides |
| IUPAC Name | 2-bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24Br2O/c1-13(2)8-10(4-5-11(13)16)15-7-6-14(3,18-15)12(17)9-15/h10-12H,4-9H2,1-3H3 |
| InChI Key | BUMRFOKGCWFBRD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H24Br2O |
| Molecular Weight | 380.16 g/mol |
| Exact Mass | 380.01734 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane](https://plantaedb.com/storage/docs/compounds/2023/11/2-bromo-4-4-bromo-33-dimethylcyclohexyl-1-methyl-7-oxabicyclo221heptane.jpg "2D Structure of 2-Bromo-4-(4-bromo-3,3-dimethylcyclohexyl)-1-methyl-7-oxabicyclo[2.2.1]heptane")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.32% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.70% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.94% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.85% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.50% | 91.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.68% | 92.98% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.78% | 96.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.41% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.20% | 95.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.15% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.45% | 82.69% |
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 | 23425215 |
| LOTUS | LTS0227094 |
| wikiData | Q104946182 |