2-(1-Bromoethyl)-6-(3-chloroprop-2-enyl)-2,5-dimethyloxane
| Internal ID | aefcf157-daa6-4f61-95ab-bca1304b0119 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 2-(1-bromoethyl)-6-(3-chloroprop-2-enyl)-2,5-dimethyloxane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C12H20BrClO/c1-9-6-7-12(3,10(2)13)15-11(9)5-4-8-14/h4,8-11H,5-7H2,1-3H3 |
| InChI Key | RPUPJNLDKRSQRY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H20BrClO |
| Molecular Weight | 295.64 g/mol |
| Exact Mass | 294.03861 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.30 |
| 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 | 98.08% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 94.80% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.16% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.54% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.64% | 89.34% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.90% | 96.77% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.72% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.19% | 94.45% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.28% | 95.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.14% | 94.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.59% | 92.88% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.65% | 99.18% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.60% | 85.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.98% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.64% | 97.93% |
| CHEMBL3785 | Q8TDS4 | Hydroxycarboxylic acid receptor 2 | 81.20% | 94.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.89% | 97.09% |
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 | 78410304 |
| LOTUS | LTS0221799 |
| wikiData | Q105243043 |