3-Bromo-6-(3-bromopropa-1,2-dienyl)-9-chloro-8-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane
| Internal ID | 4757b2c5-52b2-4014-b25e-2de45fdd9556 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | 3-bromo-6-(3-bromopropa-1,2-dienyl)-9-chloro-8-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane |
| SMILES (Canonical) | CC1C(C2CCC3(O2)CC(C(O3)CC(O1)C=C=CBr)Br)Cl |
| SMILES (Isomeric) | CC1C(C2CCC3(O2)CC(C(O3)CC(O1)C=C=CBr)Br)Cl |
| InChI | InChI=1S/C15H19Br2ClO3/c1-9-14(18)12-4-5-15(20-12)8-11(17)13(21-15)7-10(19-9)3-2-6-16/h3,6,9-14H,4-5,7-8H2,1H3 |
| InChI Key | NDEGXLOZTNFBJT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H19Br2ClO3 |
| Molecular Weight | 442.57 g/mol |
| Exact Mass | 441.93690 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of 3-Bromo-6-(3-bromopropa-1,2-dienyl)-9-chloro-8-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane](https://plantaedb.com/storage/docs/compounds/2023/11/3-bromo-6-3-bromopropa-12-dienyl-9-chloro-8-methyl-71314-trioxatricyclo821114tetradecane.jpg "2D Structure of 3-Bromo-6-(3-bromopropa-1,2-dienyl)-9-chloro-8-methyl-7,13,14-trioxatricyclo[8.2.1.11,4]tetradecane")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 95.54% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.65% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.00% | 96.61% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.32% | 97.31% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.29% | 96.61% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.09% | 95.58% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.42% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.69% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.56% | 96.43% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 86.82% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.19% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.09% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.94% | 94.45% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 85.69% | 86.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.02% | 95.38% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.88% | 93.67% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.30% | 95.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 83.04% | 85.31% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.10% | 96.77% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.25% | 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 | 73815884 |
| LOTUS | LTS0054445 |
| wikiData | Q104667588 |