3,4-dihydroxy-2-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid
| Internal ID | 0608fb4a-9dd2-4516-b932-d33f27e92854 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 3,4-dihydroxy-2-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H16O9/c22-11-3-1-10(2-4-11)14-9-28-16-7-12(5-6-13(16)18(14)24)29-21-19(25)15(23)8-17(30-21)20(26)27/h1-9,15,19,21-23,25H,(H,26,27) |
| InChI Key | XDIWRWQSZCWABS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H16O9 |
| Molecular Weight | 412.30 g/mol |
| Exact Mass | 412.07943208 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 3,4-dihydroxy-2-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/34-dihydroxy-2-3-4-hydroxyphenyl-4-oxochromen-7-yloxy-34-dihydro-2h-pyran-6-carboxylic-acid.jpg "2D Structure of 3,4-dihydroxy-2-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylic acid")
| 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 | 98.56% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.88% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.50% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.92% | 99.17% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 91.84% | 95.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.52% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.00% | 95.78% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 89.23% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.07% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 88.96% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.22% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.13% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.52% | 94.62% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.69% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.23% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 81.55% | 94.97% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.47% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.21% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 162855076 |
| LOTUS | LTS0219305 |
| wikiData | Q104200866 |