3-Acetoxy-5,7,4'-trihydroxyflavanone
| Internal ID | c36670bd-f971-463f-8267-e729fe3acae7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones > Flavanonols |
| IUPAC Name | [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
| SMILES (Isomeric) | CC(=O)OC1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O |
| InChI | InChI=1S/C17H14O7/c1-8(18)23-17-15(22)14-12(21)6-11(20)7-13(14)24-16(17)9-2-4-10(19)5-3-9/h2-7,16-17,19-21H,1H3 |
| InChI Key | WJMRMTQQBTZCNV-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.40 |
| 3-acetoxy-5,7,4'-trihydroxyflavanone |
| 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 | 98.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.32% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.00% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.65% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.10% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.99% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.76% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.50% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.93% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.60% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.04% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.52% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.38% | 91.19% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.07% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.00% | 98.75% |
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.
| Aframomum sceptrum |
| Baccharis varians |
| Dittrichia viscosa subsp. viscosa |
| Siparuna thecaphora |
| PubChem | 14861264 |
| LOTUS | LTS0084714 |
| wikiData | Q105306939 |