[2-Hydroxy-1-(5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl)-2-methylpropyl] acetate
| Internal ID | c21fdc29-4b7a-46d8-a1c8-de16578a3db7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 8-prenylated flavones |
| IUPAC Name | [2-hydroxy-1-(5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl)-2-methylpropyl] acetate |
| SMILES (Canonical) | CC(=O)OC(C1COC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)C(C)(C)O |
| SMILES (Isomeric) | CC(=O)OC(C1COC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)C(C)(C)O |
| InChI | InChI=1S/C23H22O7/c1-12(24)29-22(23(2,3)27)14-11-28-18-10-16(26)20-15(25)9-17(30-21(20)19(14)18)13-7-5-4-6-8-13/h4-10,14,22,26-27H,11H2,1-3H3 |
| InChI Key | QMYUFJTUDULOHS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O7 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of [2-Hydroxy-1-(5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl)-2-methylpropyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-1-5-hydroxy-4-oxo-2-phenyl-89-dihydrofuro23-hchromen-9-yl-2-methylpropyl-acetate.jpg "2D Structure of [2-Hydroxy-1-(5-hydroxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl)-2-methylpropyl] 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 | 99.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.26% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.53% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.24% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.38% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.64% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.11% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.97% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.68% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.42% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.22% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.06% | 91.19% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 83.79% | 89.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.50% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.75% | 93.65% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.39% | 93.56% |
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 | 162844000 |
| LOTUS | LTS0110512 |
| wikiData | Q105224259 |