[5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | 436e7d14-85af-4cae-977c-9f248b347a38 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21(29)19-17(26)16(25)18(27)20(28)32-19/h1-7,16-20,22-23,25-28H |
| InChI Key | LFYKLMBWGAMUQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O11 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.08491139 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of [5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-2-4-hydroxyphenyl-4-oxochromen-7-yl-3456-tetrahydroxyoxane-2-carboxylate.jpg "2D Structure of [5-Hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate")
| 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 | 98.78% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.16% | 89.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.25% | 83.57% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.25% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.67% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.87% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.82% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.44% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.97% | 95.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.38% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.79% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.20% | 90.71% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 86.67% | 89.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.97% | 95.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.93% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.66% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.43% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.36% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.43% | 91.71% |
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.
| Gratiola officinalis |
| PubChem | 163031004 |
| LOTUS | LTS0088245 |
| wikiData | Q105151219 |