[(2R)-2-[(2R,5Z)-5-[2-(2,5-diacetyloxyphenyl)ethylidene]oxan-2-yl]propyl] acetate
| Internal ID | ad9ee4a0-7fed-4a75-8ecc-40943f1471c6 |
| Taxonomy | Benzenoids > Phenol esters |
| IUPAC Name | [(2R)-2-[(2R,5Z)-5-[2-(2,5-diacetyloxyphenyl)ethylidene]oxan-2-yl]propyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H28O7/c1-14(12-26-15(2)23)21-9-6-18(13-27-21)5-7-19-11-20(28-16(3)24)8-10-22(19)29-17(4)25/h5,8,10-11,14,21H,6-7,9,12-13H2,1-4H3/b18-5-/t14-,21-/m1/s1 |
| InChI Key | WKOIVLNYPKBITA-SIOZBVEBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H28O7 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(2R)-2-[(2R,5Z)-5-[2-(2,5-diacetyloxyphenyl)ethylidene]oxan-2-yl]propyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2r5z-5-2-25-diacetyloxyphenylethylideneoxan-2-ylpropyl-acetate.jpg "2D Structure of [(2R)-2-[(2R,5Z)-5-[2-(2,5-diacetyloxyphenyl)ethylidene]oxan-2-yl]propyl] 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.43% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.54% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.27% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.45% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.94% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.38% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.36% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.56% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.99% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.96% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.78% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.91% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.42% | 89.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.95% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.54% | 91.07% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.36% | 94.73% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.20% | 97.53% |
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.
| Cordia elaeagnoides |
| PubChem | 163186051 |
| LOTUS | LTS0207456 |
| wikiData | Q105307516 |