5,8-Dihydroxy-2-methyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]chromen-4-one
| Internal ID | b1488918-6b31-46b7-8cf7-f9a361ac00ac |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 5,8-dihydroxy-2-methyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]chromen-4-one |
| SMILES (Canonical) | CC1=CC(=O)C2=C(C(=CC(=C2O1)O)C=CC(C)COC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=O)C2=C(C(=CC(=C2O1)O)C=CC(C)COC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C21H26O10/c1-9(8-29-21-19(28)18(27)17(26)14(7-22)31-21)3-4-11-6-13(24)20-15(16(11)25)12(23)5-10(2)30-20/h3-6,9,14,17-19,21-22,24-28H,7-8H2,1-2H3 |
| InChI Key | ASMCLHWTKHKMAZ-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 | 0.70 |
| There are no found synonyms. |
![2D Structure of 5,8-Dihydroxy-2-methyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/db55e7c0-85f3-11ee-b17f-71399424b541.jpg "2D Structure of 5,8-Dihydroxy-2-methyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-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 | 99.61% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.25% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.17% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 96.21% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.86% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.66% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.64% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.76% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.41% | 95.64% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.17% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.13% | 86.92% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.50% | 91.49% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.03% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 87.29% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.16% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.94% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.83% | 99.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.39% | 97.36% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.00% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.77% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.09% | 95.89% |
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.
| Cnidium monnieri |
| PubChem | 162846263 |
| LOTUS | LTS0168542 |
| wikiData | Q104917929 |