[5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate
| Internal ID | ec4d14cd-780d-4071-98d9-d5ece51df273 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids |
| IUPAC Name | [5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H20O13/c1-32-11-4-7(2-3-8(11)23)10-5-9(24)14-12(33-10)6-13(15(25)16(14)26)34-22(31)20-18(28)17(27)19(29)21(30)35-20/h2-6,17-21,23,25-30H,1H3 |
| InChI Key | SCUOFHFSRPWCKS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H20O13 |
| Molecular Weight | 492.40 g/mol |
| Exact Mass | 492.09039069 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] 3,4,5,6-tetrahydroxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/e6d61790-85f6-11ee-aa07-1f41fa071a56.jpg "2D Structure of [5,6-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-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 | 98.88% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.94% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.73% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.32% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.99% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.50% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.94% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.73% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 87.12% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.93% | 99.15% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.95% | 86.92% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.62% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.48% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.43% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.85% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.28% | 95.89% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 83.62% | 89.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.05% | 97.14% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.01% | 95.78% |
| CHEMBL1287628 | Q9Y5S8 | NADPH oxidase 1 | 80.34% | 95.48% |
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 | 69718074 |
| LOTUS | LTS0195016 |
| wikiData | Q105250415 |