5,7-Dihydroxy-2-methyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
| Internal ID | 3cebd03d-c818-4245-8032-8e41ef38f544 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 5,7-dihydroxy-2-methyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C=C(C(=C2O1)CC=C(C)COC3C(C(C(C(O3)CO)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C=C(C(=C2O1)CC=C(C)COC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChI | InChI=1S/C21H26O10/c1-9(8-29-21-19(28)18(27)17(26)15(7-22)31-21)3-4-11-12(23)6-14(25)16-13(24)5-10(2)30-20(11)16/h3,5-6,15,17-19,21-23,25-28H,4,7-8H2,1-2H3 |
| InChI Key | JHUMCHQLYHVEBX-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 | 0.80 |
| There are no found synonyms. |
![2D Structure of 5,7-Dihydroxy-2-methyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2c36e910-8690-11ee-9314-c396d6bc4d2d.jpg "2D Structure of 5,7-Dihydroxy-2-methyl-8-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-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 | 99.04% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.43% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 98.04% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.28% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.09% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.62% | 89.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.59% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.60% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.09% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.43% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.05% | 91.24% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.01% | 96.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.36% | 97.36% |
| CHEMBL3194 | P02766 | Transthyretin | 81.27% | 90.71% |
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 hyemalis |
| PubChem | 72726487 |
| LOTUS | LTS0146362 |
| wikiData | Q105128340 |