5-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
| Internal ID | 1a87cc81-fbcd-4d26-8308-61849afe2b0e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 5-hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26O10/c1-9(7-22)3-4-11-14(6-13(25)16-12(24)5-10(2)29-20(11)16)30-21-19(28)18(27)17(26)15(8-23)31-21/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3 |
| InChI Key | QIPLCTWVYHJTQK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O10 |
| Molecular Weight | 438.40 g/mol |
| Exact Mass | 438.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/fb147da0-8664-11ee-a712-151408987a93.jpg "2D Structure of 5-Hydroxy-8-(4-hydroxy-3-methylbut-2-enyl)-2-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one")
| 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 | 98.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.65% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.45% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.05% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.28% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.92% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.77% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.39% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.22% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.38% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.23% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.87% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 81.68% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.78% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.33% | 94.80% |
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.
| Eranthis cilicica |
| PubChem | 74817436 |
| LOTUS | LTS0133192 |
| wikiData | Q105221536 |