Methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate
| Internal ID | c36f92b5-7530-4e5e-91a8-090e879d91df |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H22O12/c1-31-20-15(26)14-12(25)7-11(8-13(14)34-19(20)9-3-5-10(24)6-4-9)33-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-25,27-29H,1-2H3 |
| InChI Key | VGKIYBXQHZAJLY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O12 |
| Molecular Weight | 490.40 g/mol |
| Exact Mass | 490.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 181.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of Methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/15d10a60-865b-11ee-be91-c9fc705297d7.jpg "2D Structure of Methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-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 | 99.12% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.94% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.69% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.59% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.17% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.14% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.62% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.83% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.20% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.57% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.34% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.63% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.15% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.42% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.07% | 91.49% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.86% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.51% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.09% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.86% | 90.00% |
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.
| Centaurea furfuracea |
| PubChem | 74065549 |
| LOTUS | LTS0109238 |
| wikiData | Q105285856 |