[(3S,4S)-4-(7-acetyloxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
| Internal ID | c65d2464-8949-42b6-abe4-4a28544f1453 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | [(3S,4S)-4-(7-acetyloxy-4-oxo-2-phenylchromen-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)O[C@H]1[C@H](COC1(C)C)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)OC(=O)C |
| InChI | InChI=1S/C25H24O7/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/h5-12,18,24H,13H2,1-4H3/t18-,24+/m1/s1 |
| InChI Key | DGCFXQUMVMDPKH-KOSHJBKYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 88.10 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(3S,4S)-4-(7-acetyloxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3s4s-4-7-acetyloxy-4-oxo-2-phenylchromen-8-yl-22-dimethyloxolan-3-yl-acetate.jpg "2D Structure of [(3S,4S)-4-(7-acetyloxy-4-oxo-2-phenylchromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.79% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.56% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.35% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.00% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.66% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 90.81% | 95.50% |
| CHEMBL3202 | P48147 | Prolyl endopeptidase | 89.18% | 90.65% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.48% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.37% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.45% | 94.00% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 83.88% | 89.23% |
| CHEMBL5028 | O14672 | ADAM10 | 83.46% | 97.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.03% | 94.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.45% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.76% | 94.45% |
| CHEMBL3761 | Q9HCG7 | Beta-glucosidase | 81.65% | 99.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.74% | 83.00% |
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.
| Tephrosia purpurea |
| PubChem | 163046146 |
| LOTUS | LTS0084655 |
| wikiData | Q104978569 |