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CHEBI:30200 - kaempferol 3-O-β-D-glucoside
| Formula | C21H20O11 |
| Net Charge | 0 |
| Average Mass | 448.380 |
| Monoisotopic Mass | 448.10056 |
| SMILES | O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 |
| InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
| InChIKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Delphinium staphisagria (ncbitaxon:104301) | aerial part (BTO:0001658) | PubMed (21466157) | 80% ethanolic extract of chopped fresh plant |
| Roles Classification |
|---|
| Biological Roles: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) has role plant metabolite (CHEBI:76924) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) has role trypanocidal drug (CHEBI:36335) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) is a kaempferol O-glucoside (CHEBI:64634) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) is a monosaccharide derivative (CHEBI:63367) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) is a trihydroxyflavone (CHEBI:27116) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) is a β-D-glucoside (CHEBI:22798) |
| kaempferol 3-O-β-D-glucoside (CHEBI:30200) is conjugate acid of kaempferol 3-O-β-D-glucoside(1−) (CHEBI:169942) |
| Incoming Relation(s) |
| 2''-acetylastragalin (CHEBI:67926) has functional parent kaempferol 3-O-β-D-glucoside (CHEBI:30200) |
| astragalin heptaacetate (CHEBI:67927) has functional parent kaempferol 3-O-β-D-glucoside (CHEBI:30200) |
| kaempferol 3-O-β-D-glucoside(1−) (CHEBI:169942) is conjugate base of kaempferol 3-O-β-D-glucoside (CHEBI:30200) |
| IUPAC Name |
|---|
| 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
| Synonyms | Source |
|---|---|
| 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside | ChEBI |
| Astragalin | ChemIDplus |
| 3,4',5,7-Tetrahydroxyflavone-3-glucoside | ChemIDplus |
| 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- | ChemIDplus |
| Kaempferol 3-O-glucoside | KEGG COMPOUND |
| Kaempferol 3-O-beta-D-glucoside | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C12249 | KEGG COMPOUND |
| CPD1F-453 | MetaCyc |
| LMPK12111725 | LIPID MAPS |
| Astragalin | Wikipedia |
| HMDB0037429 | HMDB |
| C00005138 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1359980 | Reaxys |
| CAS:480-10-4 | ChemIDplus |
| CAS:480-10-4 | KEGG COMPOUND |
| Citations |
|---|