(6R,9Z)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-one
| Internal ID | 4cdf57fd-e8e8-40ca-b1dd-2917d8591072 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | (6R,9Z)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H19BrO/c1-11-8-13(17)9-14(2,3)15(11)6-4-12(10-16)5-7-15/h4,6,8,10H,5,7,9H2,1-3H3/b12-10+/t15-/m1/s1 |
| InChI Key | ONNLDYKYSQQJJI-HBIYDYFMSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C15H19BrO |
| Molecular Weight | 295.21 g/mol |
| Exact Mass | 294.06193 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (6R,9Z)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/6r9z-9-bromomethylidene-155-trimethylspiro55undeca-110-dien-3-one.jpg "2D Structure of (6R,9Z)-9-(bromomethylidene)-1,5,5-trimethylspiro[5.5]undeca-1,10-dien-3-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.21% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.64% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.03% | 96.77% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.66% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.26% | 94.75% |
| CHEMBL240 | Q12809 | HERG | 88.27% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.27% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.86% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.66% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.87% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.84% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.36% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.39% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.78% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.13% | 89.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 23425338 |
| LOTUS | LTS0047062 |
| wikiData | Q105194969 |