[5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate
| Internal ID | 5007c028-bc0a-49d7-a572-29ad28e9faa7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
| IUPAC Name | [5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H20O14S/c1-7-15(25)17(27)18(28)21(32-7)34-20-16(26)14-11(24)5-9(22)6-13(14)33-19(20)8-2-3-10(23)12(4-8)35-36(29,30)31/h2-7,15,17-18,21-25,27-28H,1H3,(H,29,30,31)/t7-,15+,17-,18+,21+/m1/s1 |
| InChI Key | AFTZRPOSTUJNEO-FEDARYDQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H20O14S |
| Molecular Weight | 528.40 g/mol |
| Exact Mass | 528.05737648 g/mol |
| Topological Polar Surface Area (TPSA) | 238.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/13ac66a0-8648-11ee-9ee4-6daf2da516b2.jpg "2D Structure of [5-[5,7-dihydroxy-4-oxo-3-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-2-yl]-2-hydroxyphenyl] hydrogen sulfate")
| 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 | 98.16% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.70% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.66% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.61% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.46% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.13% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.61% | 86.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.26% | 85.31% |
| CHEMBL3194 | P02766 | Transthyretin | 88.65% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.48% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.52% | 90.71% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.85% | 95.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.45% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.45% | 96.09% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.57% | 91.38% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.07% | 95.78% |
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.
| Leea guineensis |
| PubChem | 162821306 |
| LOTUS | LTS0082533 |
| wikiData | Q104911567 |