[4-(7-Acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
| Internal ID | 19c9b9cf-9733-4b53-9825-14e3c6d878c6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | [4-(7-acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1C(COC1(C)C)C2=C(C=CC3=C2OC(CC3=O)C4=CC=CC=C4)OC(=O)C |
| SMILES (Isomeric) | CC(=O)OC1C(COC1(C)C)C2=C(C=CC3=C2OC(CC3=O)C4=CC=CC=C4)OC(=O)C |
| InChI | InChI=1S/C25H26O7/c1-14(26)30-20-11-10-17-19(28)12-21(16-8-6-5-7-9-16)32-23(17)22(20)18-13-29-25(3,4)24(18)31-15(2)27/h5-11,18,21,24H,12-13H2,1-4H3 |
| InChI Key | CDLPGZBOFRAGTK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O7 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-(7-Acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-acetyloxy-4-oxo-2-phenyl-23-dihydrochromen-8-yl-22-dimethyloxolan-3-yl-acetate.jpg "2D Structure of [4-(7-Acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-2,2-dimethyloxolan-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.85% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.50% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.40% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.25% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.88% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.38% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.31% | 99.23% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 84.39% | 92.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.38% | 91.19% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.16% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.59% | 97.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.99% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.59% | 95.50% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.34% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.97% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.80% | 97.14% |
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.
| Tephrosia purpurea |
| PubChem | 163060915 |
| LOTUS | LTS0097848 |
| wikiData | Q104954587 |