3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one
| Internal ID | c33687fc-0356-4bff-9bd3-64335a8b53c0 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > Monohydroxyflavonoids |
| IUPAC Name | [2-hydroxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C)O |
| SMILES (Isomeric) | CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C)O |
| InChI | InChI=1S/C23H18O11/c1-10(24)30-15-8-18(32-12(3)26)20-19(9-15)34-22(23(21(20)29)33-13(4)27)14-5-6-17(16(28)7-14)31-11(2)25/h5-9,28H,1-4H3 |
| InChI Key | ZWYZHJDVFHNBDP-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H18O11 |
| Molecular Weight | 470.40 g/mol |
| Exact Mass | 470.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.00 |
| LMPK12112303 |
![2D Structure of 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/357-trisacetyloxy-2-4-acetyloxy-3-hydroxyphenyl-4h-1-benzopyran-4-one.jpg "2D Structure of 3,5,7-Tris(acetyloxy)-2-[4-(acetyloxy)-3-hydroxyphenyl]-4H-1-benzopyran-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.54% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.38% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.50% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.81% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.51% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.27% | 94.73% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.80% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 88.32% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.38% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.06% | 81.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.92% | 90.71% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.89% | 94.80% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.05% | 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.
| There are no matching plants. |
| PubChem | 44259329 |
| LOTUS | LTS0127501 |
| wikiData | Q105385328 |