6-[[6-(2,3-Dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Internal ID | 61b77e78-fa1b-4a96-9c49-c1ba295380c5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides > Flavonoid-3-O-glucuronides |
| IUPAC Name | 6-[[6-(2,3-dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)C2=C(C(=O)C3=C(C4=C(C=C3O2)OCO4)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O |
| InChI | InChI=1S/C23H20O15/c1-33-7-3-2-6(11(24)12(7)25)18-20(37-23-17(30)15(28)16(29)21(38-23)22(31)32)14(27)10-8(36-18)4-9-19(13(10)26)35-5-34-9/h2-4,15-17,21,23-26,28-30H,5H2,1H3,(H,31,32) |
| InChI Key | DDUOYJGQMDFRBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H20O15 |
| Molecular Weight | 536.40 g/mol |
| Exact Mass | 536.08021993 g/mol |
| Topological Polar Surface Area (TPSA) | 231.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 6-[[6-(2,3-Dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/d362a3c0-831b-11ee-a0e9-e7e9341fce8b.jpg "2D Structure of 6-[[6-(2,3-Dihydroxy-4-methoxyphenyl)-9-hydroxy-8-oxo-[1,3]dioxolo[4,5-g]chromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.03% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.65% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.08% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.05% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.26% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.48% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.00% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.38% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.07% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.83% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.78% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.49% | 92.62% |
| CHEMBL3194 | P02766 | Transthyretin | 85.42% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.40% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.26% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.99% | 95.64% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.48% | 96.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.28% | 94.42% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.22% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.57% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.03% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.59% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.32% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.43% | 89.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.30% | 90.24% |
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.
| Spinacia oleracea |
| PubChem | 85368141 |
| LOTUS | LTS0031807 |
| wikiData | Q104976861 |