7-Ethoxy-5-hex-4-enoyl-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
| Internal ID | 7a3193ba-2411-40c6-b4b1-55c3dd6c9b9d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | 7-ethoxy-5-hex-4-enoyl-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one |
| SMILES (Canonical) | CCOC1CC2C(=C(C1(C(=O)C2(C)O)C)O)C(=O)CCC=CC |
| SMILES (Isomeric) | CCOC1CC2C(=C(C1(C(=O)C2(C)O)C)O)C(=O)CCC=CC |
| InChI | InChI=1S/C18H26O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7,11,13,20,22H,6,8-10H2,1-4H3 |
| InChI Key | YIEIUNLELXQYRP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H26O5 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of 7-Ethoxy-5-hex-4-enoyl-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-ethoxy-5-hex-4-enoyl-36-dihydroxy-13-dimethylbicyclo222oct-5-en-2-one.jpg "2D Structure of 7-Ethoxy-5-hex-4-enoyl-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.55% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.69% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.85% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.31% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.56% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.42% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.45% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.57% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.60% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.59% | 92.50% |
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 | 72825054 |
| LOTUS | LTS0208213 |
| wikiData | Q104201731 |