(3S,4R)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-one
| Internal ID | 9d85befc-f45f-4e3c-9405-f69f9c529ee1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (3S,4R)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-one |
| SMILES (Canonical) | CC1(C(C(CC(=C)C12CCC(=O)C=C2)O)Br)C |
| SMILES (Isomeric) | CC1([C@H]([C@H](CC(=C)C12CCC(=O)C=C2)O)Br)C |
| InChI | InChI=1S/C14H19BrO2/c1-9-8-11(17)12(15)13(2,3)14(9)6-4-10(16)5-7-14/h4,6,11-12,17H,1,5,7-8H2,2-3H3/t11-,12-,14?/m0/s1 |
| InChI Key | ZERRJERBGYWIKI-VHBIQUBJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H19BrO2 |
| Molecular Weight | 299.20 g/mol |
| Exact Mass | 298.05684 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (3S,4R)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s4r-4-bromo-3-hydroxy-55-dimethyl-1-methylidenespiro55undec-10-en-9-one.jpg "2D Structure of (3S,4R)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylidenespiro[5.5]undec-10-en-9-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.54% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.60% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.28% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.49% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.95% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.27% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.05% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.02% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.21% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.02% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.81% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.29% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.53% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.22% | 95.89% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10040369 |
| LOTUS | LTS0228330 |
| wikiData | Q105373582 |