[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | 9c9b8397-46ad-40ab-a152-9f14e6b28b7e |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones |
| IUPAC Name | [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)17(18(13)31-12)32-21(30)19-15(27)14(26)16(28)20(29)33-19/h1-6,14-16,19-20,22-23,25-29H/t14-,15-,16+,19-,20-/m0/s1 |
| InChI Key | SMKRFYXVFAZEMP-HGDKKCICSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O12 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.07982601 g/mol |
| Topological Polar Surface Area (TPSA) | 203.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl] (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/53e43730-857a-11ee-a081-b9a7b0a616bb.jpg "2D Structure of [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl] (2S,3S,4S,5R,6S)-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 | 98.29% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.67% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.68% | 94.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 94.12% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.05% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 92.30% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.94% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.81% | 99.15% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 88.91% | 89.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.66% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.07% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.01% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.70% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.13% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.09% | 91.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.78% | 95.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.61% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.48% | 86.33% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.79% | 98.35% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.80% | 85.11% |
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 | 162989267 |
| LOTUS | LTS0104205 |
| wikiData | Q105255993 |