10-Bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one
| Internal ID | 2b7f24d6-4790-43ac-89fd-3119fea5223d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Chamigranes |
| IUPAC Name | 10-bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one |
| SMILES (Canonical) | CC1(C=CC(=O)C(=C)C12CCC(C(C2)Br)(C)Cl)C |
| SMILES (Isomeric) | CC1(C=CC(=O)C(=C)C12CCC(C(C2)Br)(C)Cl)C |
| InChI | InChI=1S/C15H20BrClO/c1-10-11(18)5-6-13(2,3)15(10)8-7-14(4,17)12(16)9-15/h5-6,12H,1,7-9H2,2-4H3 |
| InChI Key | GETTWDHSAIILPA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20BrClO |
| Molecular Weight | 331.67 g/mol |
| Exact Mass | 330.03861 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of 10-Bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/10-bromo-9-chloro-559-trimethyl-1-methylidenespiro55undec-3-en-2-one.jpg "2D Structure of 10-Bromo-9-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-3-en-2-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.65% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.47% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.22% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.15% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.34% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.42% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.58% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.36% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.30% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.11% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.72% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.57% | 89.63% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.17% | 93.40% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.04% | 92.94% |
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 | 14680656 |
| LOTUS | LTS0069180 |
| wikiData | Q105007331 |