2-[(1R)-1-bromoethyl]-2,5-dimethyl-6-[(2E)-penta-2,4-dienyl]oxane
| Internal ID | 62a89a94-32eb-44d1-bd66-e4b3c93b9998 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 2-[(1R)-1-bromoethyl]-2,5-dimethyl-6-[(2E)-penta-2,4-dienyl]oxane |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H23BrO/c1-5-6-7-8-13-11(2)9-10-14(4,16-13)12(3)15/h5-7,11-13H,1,8-10H2,2-4H3/b7-6+/t11?,12-,13?,14?/m1/s1 |
| InChI Key | ZVQZUFIAWREUOG-LGXIHPACSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H23BrO |
| Molecular Weight | 287.24 g/mol |
| Exact Mass | 286.09323 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 2-[(1R)-1-bromoethyl]-2,5-dimethyl-6-[(2E)-penta-2,4-dienyl]oxane](https://plantaedb.com/storage/docs/compounds/2023/11/2-1r-1-bromoethyl-25-dimethyl-6-2e-penta-24-dienyloxane.jpg "2D Structure of 2-[(1R)-1-bromoethyl]-2,5-dimethyl-6-[(2E)-penta-2,4-dienyl]oxane")
| 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 | 96.98% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.50% | 96.61% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.34% | 97.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.22% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.28% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.18% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 82.51% | 99.18% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.49% | 96.77% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.66% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.48% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.29% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.51% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.40% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.28% | 98.95% |
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 | 23424925 |
| LOTUS | LTS0080676 |
| wikiData | Q105384525 |