6-[2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Internal ID | 8f03216e-433e-4ed9-b22b-317b98c03aeb |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-7-O-glucuronides |
| IUPAC Name | 6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OC |
| InChI | InChI=1S/C23H22O12/c1-31-13-4-3-9(5-15(13)32-2)14-8-12(25)17-11(24)6-10(7-16(17)34-14)33-23-20(28)18(26)19(27)21(35-23)22(29)30/h3-8,18-21,23-24,26-28H,1-2H3,(H,29,30) |
| InChI Key | AVEXXODEGXXFAT-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 | 1.40 |
| There are no found synonyms. |
![2D Structure of 6-[2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/6-2-34-dimethoxyphenyl-5-hydroxy-4-oxochromen-7-yloxy-345-trihydroxyoxane-2-carboxylic-acid.jpg "2D Structure of 6-[2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-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 |
|---|---|---|---|---|
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.00% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.85% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.74% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.33% | 91.49% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.17% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.15% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 94.11% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.49% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.16% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.25% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.72% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.47% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.36% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.02% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.91% | 95.89% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.49% | 97.36% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.51% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.25% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.01% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.11% | 92.94% |
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.
| Artemisia frigida |
| Rhynchosia beddomei |
| PubChem | 13873809 |
| LOTUS | LTS0148074 |
| wikiData | Q104919419 |