| Identification |
|---|
| YMDB ID | YMDB01723 |
|---|
| Name | Kaempferol 3-O-glucoside |
|---|
| Species | Saccharomyces cerevisiae |
|---|
| Strain | Brewer's yeast |
|---|
| Description | Kaempferol 3-O-glucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferol 3-O-glucoside is an extremely weak basic (essentially neutral) compound (based on its pKa). Kaempferol 3-O-glucoside may be a unique S. cerevisiae (yeast) metabolite. |
|---|
| Structure | |
|---|
| Synonyms | - Astragalin
- glucosides
- Kaempferol 3-O-beta-D-glucoside
- Kaempferol 3-O-glucoside
- Kaempferol-3-O-glucopyranoside-7-O-rhamnopyranoside
|
|---|
| CAS number | Not Available |
|---|
| Weight | Average: 594.5181
Monoisotopic: 594.15847029 |
|---|
| InChI Key | JYXSWDCPHRTYGU-QHWHWDPRSA-N |
|---|
| InChI | InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
|---|
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one |
|---|
| Traditional IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one |
|---|
| Chemical Formula | C27H30O15 |
|---|
| SMILES | C[C@@H]1O[C@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Phenylpropanoids and polyketides |
|---|
| Class | Flavonoids |
|---|
| Sub Class | Flavonoid glycosides |
|---|
| Direct Parent | Flavonoid-7-O-glycosides |
|---|
| Alternative Parents | |
|---|
| Substituents | - Flavonoid-7-o-glycoside
- Flavonoid-3-o-glycoside
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- Flavone
- Hydroxyflavonoid
- Phenolic glycoside
- Chromone
- Glycosyl compound
- O-glycosyl compound
- Benzopyran
- 1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Pyranone
- Pyran
- Monosaccharide
- Benzenoid
- Monocyclic benzene moiety
- Oxane
- Heteroaromatic compound
- Vinylogous acid
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Polyol
- Primary alcohol
- Organic oxide
- Organic oxygen compound
- Hydrocarbon derivative
- Alcohol
- Organooxygen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Charge | 0 |
|---|
| Melting point | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Water Solubility | Not Available | PhysProp | | LogP | Not Available | PhysProp |
|
|---|
| Predicted Properties | |
|---|
| Biological Properties |
|---|
| Cellular Locations | Not Available |
|---|
| Organoleptic Properties | Not Available |
|---|
| SMPDB Pathways | Not Available |
|---|
| KEGG Pathways | Not Available |
|---|
| SMPDB Reactions | Not Available |
|---|
| KEGG Reactions | Not Available |
|---|
| Concentrations |
|---|
| Intracellular Concentrations | Not Available |
|---|
| Extracellular Concentrations | Not Available |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| References |
|---|
| References: | Not Available |
|---|
| Synthesis Reference: | Not Available |
|---|
| External Links: | |
|---|
