(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3,5,7,8-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
| Internal ID | c65d7241-decd-43a2-b303-aee8c4ded49a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glucuronides |
| IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3,5,7,8-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H18O13/c22-8-5-9(23)11(24)18-10(8)12(25)14(27)17(33-18)6-1-3-7(4-2-6)32-21-16(29)13(26)15(28)19(34-21)20(30)31/h1-5,13,15-16,19,21-24,26-29H,(H,30,31)/t13-,15-,16+,19-,21-/m0/s1 |
| InChI Key | YZSVAZVBCCBFBG-XFFRTAJLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H18O13 |
| Molecular Weight | 478.40 g/mol |
| Exact Mass | 478.07474062 g/mol |
| Topological Polar Surface Area (TPSA) | 224.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3,5,7,8-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/5e945e30-8697-11ee-8be9-2fc2c18bd2d3.jpg "2D Structure of (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[4-(3,5,7,8-tetrahydroxy-4-oxochromen-2-yl)phenoxy]oxane-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 | 99.75% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.54% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.69% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.32% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.12% | 94.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.04% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 92.69% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.17% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.39% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.59% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.16% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.04% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.91% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.61% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.26% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.47% | 99.23% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.26% | 97.36% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.98% | 95.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.97% | 94.42% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.73% | 81.11% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.78% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162862418 |
| LOTUS | LTS0215409 |
| wikiData | Q105369451 |