3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one
| Internal ID | 0a93eca8-f9a3-4f38-836d-787dfc394090 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H16O6/c1-20(2)8-7-12-14(26-20)9-13(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(21)6-4-10/h3-9,21-22,24H,1-2H3 |
| InChI Key | OKQQXHUICMLKQI-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C20H16O6 |
| Molecular Weight | 352.30 g/mol |
| Exact Mass | 352.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 3.80 |
| 112516-43-5 |
| 9ES85ZGN4Y |
| 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| DTXSID801128144 |
| 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one |
| 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one |
| 3,5-Dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| RefChem:1065910 |
| DTXCID501559647 |
| 4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 3,5-dihydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.53% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.56% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.43% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.46% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.88% | 94.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.33% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.11% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.50% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.97% | 90.71% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.53% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.23% | 99.23% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.48% | 93.10% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.03% | 91.49% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.62% | 94.42% |
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.
| Phyllodium pulchellum |
| Podophyllum versipelle |
| PubChem | 44259051 |
| NPASS | NPC166757 |
| ChEMBL | CHEMBL463744 |
| LOTUS | LTS0128978 |
| wikiData | Q105193713 |