[(2S,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-5-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-3-yl] acetate
| Internal ID | fbb4cf84-1986-47b5-81e4-28853e2b5e19 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids |
| IUPAC Name | [(2S,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-5-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-3-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H22O9/c1-11-17(30-13(3)25)10-18-19(21(11)28-5)20(27)23(31-14(4)26)22(32-18)15-6-8-16(9-7-15)29-12(2)24/h6-10,22-23H,1-5H3/t22-,23+/m0/s1 |
| InChI Key | ASHPMUOPXZTLQY-XZOQPEGZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O9 |
| Molecular Weight | 442.40 g/mol |
| Exact Mass | 442.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(2S,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-5-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s-7-acetyloxy-2-4-acetyloxyphenyl-5-methoxy-6-methyl-4-oxo-23-dihydrochromen-3-yl-acetate.jpg "2D Structure of [(2S,3S)-7-acetyloxy-2-(4-acetyloxyphenyl)-5-methoxy-6-methyl-4-oxo-2,3-dihydrochromen-3-yl] 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 | 97.87% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.18% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.87% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.33% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.16% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.00% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.90% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.36% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.25% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.56% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.55% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.00% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.69% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.01% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.67% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.07% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.85% | 96.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.49% | 97.21% |
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.
| Qualea labouriauana |
| PubChem | 163066038 |
| LOTUS | LTS0083995 |
| wikiData | Q104917842 |