3-Bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodecane-4,6-diol
| Internal ID | 33a9046a-6295-47cb-b1b1-65c43f4500f9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | 3-bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodecane-4,6-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24BrClO2/c1-12(2)11(16)9(18)6-15(19)8-13(3)4-5-14(12,15)7-10(13)17/h9-11,18-19H,4-8H2,1-3H3 |
| InChI Key | ZMHIWDPAJYFEAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24BrClO2 |
| Molecular Weight | 351.70 g/mol |
| Exact Mass | 350.06482 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of 3-Bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodecane-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/3-bromo-9-chloro-228-trimethyltricyclo622016dodecane-46-diol.jpg "2D Structure of 3-Bromo-9-chloro-2,2,8-trimethyltricyclo[6.2.2.01,6]dodecane-4,6-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 93.14% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.63% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.63% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.01% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.26% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.84% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.81% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.47% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.89% | 95.38% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.36% | 89.05% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.30% | 82.69% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.19% | 99.00% |
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 | 74052047 |
| LOTUS | LTS0079955 |
| wikiData | Q105379465 |