| ImmunCR Id : | ICR21 |
| Chemical Name : | Shaftoside |
| Plant Source : | Clinacanthus nutans |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Attenuation of T-cell proliferation and improvement of Th1 and Th2 imbalance |
| Description : | --- |
| IUPAC Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one |
| SMILES | C1C(C(C(C(O1)C2=C3C(=C(C(=C2O)C4C(C(C(C(O4)CO)O)O)O)O)C(=O)C=C(O3)C5=CC=C(C=C5)O)O)O)O |
| Formula | C26H28O14 |
| InchiKey | MMDUKUSNQNWVET-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Flavonoid glycosides |
| LogP | -1.862 |
| Molecular weight | 564.492 |
| Hydrogen Bond Acceptor | 14 |
| Hydrogen Bond Donor | 10 |
| Polar surface area | 252.246 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 2 |
| Number of rings | 5 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Non-Binder |
| CYP2D6 inhibition | Non-Inhibitor |
