12-Bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.02,6.04,8]tetradecane
| Internal ID | dfd3eee3-ab28-4a30-952b-ac159d5acd90 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | 12-bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.02,6.04,8]tetradecane |
| SMILES (Canonical) | CC1(C(CC2C(O1)(C3CC4C(O2)(CC3O4)C)C)Br)C |
| SMILES (Isomeric) | CC1(C(CC2C(O1)(C3CC4C(O2)(CC3O4)C)C)Br)C |
| InChI | InChI=1S/C15H23BrO3/c1-13(2)10(16)6-12-15(4,19-13)8-5-11-14(3,18-12)7-9(8)17-11/h8-12H,5-7H2,1-4H3 |
| InChI Key | FWEJHCOQUTYHDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H23BrO3 |
| Molecular Weight | 331.24 g/mol |
| Exact Mass | 330.08306 g/mol |
| Topological Polar Surface Area (TPSA) | 27.70 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of 12-Bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.02,6.04,8]tetradecane](https://plantaedb.com/storage/docs/compounds/2023/11/12-bromo-181313-tetramethyl-5914-trioxatetracyclo840026048tetradecane.jpg "2D Structure of 12-Bromo-1,8,13,13-tetramethyl-5,9,14-trioxatetracyclo[8.4.0.02,6.04,8]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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.04% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.65% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.83% | 96.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.28% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.94% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 84.90% | 98.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.04% | 97.14% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.72% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.36% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.98% | 97.25% |
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 | 73803692 |
| LOTUS | LTS0213832 |
| wikiData | Q105003192 |