[(2R,5E,10S)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-10-bicyclo[7.2.0]undec-5-enyl] acetate
| Internal ID | 75a04cae-228a-4cd5-ba50-f279792c9f30 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Alpha-acyloxy carbonyl compounds > Alpha-acyloxy ketones |
| IUPAC Name | [(2R,5E,10S)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-10-bicyclo[7.2.0]undec-5-enyl] acetate |
| SMILES (Canonical) | CC1=CCCC2C(C(CC1)C(C)CCC=C(C)C)C(=O)C2OC(=O)C |
| SMILES (Isomeric) | C/C/1=C\CCC2[C@@H](C(=O)C2[C@H](CC1)[C@H](C)CCC=C(C)C)OC(=O)C |
| InChI | InChI=1S/C22H34O3/c1-14(2)8-6-10-16(4)18-13-12-15(3)9-7-11-19-20(18)21(24)22(19)25-17(5)23/h8-9,16,18-20,22H,6-7,10-13H2,1-5H3/b15-9+/t16-,18-,19?,20?,22+/m1/s1 |
| InChI Key | SOAIWELMVRCOAD-ZWKKYKBOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H34O3 |
| Molecular Weight | 346.50 g/mol |
| Exact Mass | 346.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 5.50 |
| CHEMBL310874 |
![2D Structure of [(2R,5E,10S)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-10-bicyclo[7.2.0]undec-5-enyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/acetylcoriacenone.jpg "2D Structure of [(2R,5E,10S)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]-11-oxo-10-bicyclo[7.2.0]undec-5-enyl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.79% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.99% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.39% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.72% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.08% | 97.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.43% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.66% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.16% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.07% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.97% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.48% | 95.89% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.21% | 94.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.09% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.03% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.72% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.44% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.39% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.16% | 91.19% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.92% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.89% | 93.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 44584502 |
| LOTUS | LTS0224213 |
| wikiData | Q104395215 |