[4-(7,8-Diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate
| Internal ID | 8509132a-a89e-44c5-bb2c-055500c2a38b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | [4-(7,8-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3)OC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C(=C(C=C3)OC(=O)C)OC(=O)C |
| InChI | InChI=1S/C21H18O8/c1-11(22)26-15-6-4-14(5-7-15)19-10-17(25)16-8-9-18(27-12(2)23)21(20(16)29-19)28-13(3)24/h4-9,19H,10H2,1-3H3 |
| InChI Key | FKQGVEJPNFAULW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O8 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of [4-(7,8-Diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-78-diacetyloxy-4-oxo-23-dihydrochromen-2-ylphenyl-acetate.jpg "2D Structure of [4-(7,8-Diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 93.74% | 92.51% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.25% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.81% | 95.56% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.02% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.80% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.73% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.26% | 99.23% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 83.68% | 97.53% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.48% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.32% | 95.78% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.79% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.46% | 90.00% |
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.
| Senegalia caffra |
| PubChem | 163063288 |
| LOTUS | LTS0239755 |
| wikiData | Q104996743 |