[4-(4-Bromo-3,3-dimethylcyclohexyl)phenyl]methyl acetate
| Internal ID | 0ec3f467-654a-446a-86cd-8f5ef1d470d2 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzyloxycarbonyls |
| IUPAC Name | [4-(4-bromo-3,3-dimethylcyclohexyl)phenyl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H23BrO2/c1-12(19)20-11-13-4-6-14(7-5-13)15-8-9-16(18)17(2,3)10-15/h4-7,15-16H,8-11H2,1-3H3 |
| InChI Key | KLBOHOIFWGYTRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H23BrO2 |
| Molecular Weight | 339.30 g/mol |
| Exact Mass | 338.08814 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [4-(4-Bromo-3,3-dimethylcyclohexyl)phenyl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-bromo-33-dimethylcyclohexylphenylmethyl-acetate.jpg "2D Structure of [4-(4-Bromo-3,3-dimethylcyclohexyl)phenyl]methyl 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 | 98.56% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.31% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.52% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.79% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.44% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.75% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.25% | 82.69% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.01% | 85.31% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.01% | 95.89% |
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 | 74396670 |
| LOTUS | LTS0129072 |
| wikiData | Q105142510 |