(4-Bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-yl) acetate
| Internal ID | dc3ed1b0-40a7-4860-8bf5-b5fe7dcf4634 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | (4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H24BrClO2/c1-10-6-7-17(9-13(10)19)11(2)8-14(21-12(3)20)15(18)16(17,4)5/h14-15H,2,6-9H2,1,3-5H3 |
| InChI Key | GQCHYEJJCOTYBA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H24BrClO2 |
| Molecular Weight | 375.70 g/mol |
| Exact Mass | 374.06482 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of (4-Bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-bromo-10-chloro-559-trimethyl-1-methylidenespiro55undec-9-en-3-yl-acetate.jpg "2D Structure of (4-Bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.56% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.77% | 91.19% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.52% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.90% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.84% | 98.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.33% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.33% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.00% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.91% | 95.56% |
| CHEMBL5028 | O14672 | ADAM10 | 81.69% | 97.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.64% | 96.95% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.60% | 95.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.70% | 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.
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| There are no matching plants. |
| PubChem | 14239684 |
| LOTUS | LTS0092307 |
| wikiData | Q105015304 |