| ImmunCR Id : | ICR115 |
| Chemical Name : | Astragaline |
| Plant Source : | Vaccinium myrtillus |
| Nutraceutical information : | Edible, High content in elderberry native to Europe. |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Antioxidant; Neuroprotective; Antimicrobial; |
| Description : | Astragaline, kaempferol-3-monoglucoside is a flavanol found in small amounts as compared to rutin in different flowering plants and medicinal herbs. |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| Formula | C21H20O11 |
| InchiKey | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Flavonoid glycosides |
| LogP | -0.058 |
| Molecular weight | 448.377 |
| Hydrogen Bond Acceptor | 11 |
| Hydrogen Bond Donor | 7 |
| Polar surface area | 189.799 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 2 |
| Number of rings | 4 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
