[4-[2-Acetyloxy-3-(4-acetyloxy-2-hydroxyphenyl)-3-oxopropyl]phenyl] acetate
| Internal ID | b148a335-4969-498f-918b-6252f9716bf0 |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones |
| IUPAC Name | [4-[2-acetyloxy-3-(4-acetyloxy-2-hydroxyphenyl)-3-oxopropyl]phenyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O8/c1-12(22)27-16-6-4-15(5-7-16)10-20(29-14(3)24)21(26)18-9-8-17(11-19(18)25)28-13(2)23/h4-9,11,20,25H,10H2,1-3H3 |
| InChI Key | XYTUBPYFYSWFDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O8 |
| Molecular Weight | 400.40 g/mol |
| Exact Mass | 400.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [4-[2-Acetyloxy-3-(4-acetyloxy-2-hydroxyphenyl)-3-oxopropyl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-acetyloxy-3-4-acetyloxy-2-hydroxyphenyl-3-oxopropylphenyl-acetate.jpg "2D Structure of [4-[2-Acetyloxy-3-(4-acetyloxy-2-hydroxyphenyl)-3-oxopropyl]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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.99% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.05% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.66% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.03% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.90% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.83% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 87.83% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.49% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.84% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.08% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.24% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.37% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.15% | 97.21% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 80.82% | 92.68% |
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.
| Zollernia paraensis |
| PubChem | 162927260 |
| LOTUS | LTS0081937 |
| wikiData | Q105344660 |