| ImmunCR Id : | ICR18 |
| Chemical Name : | Oleanolic acid 3-O-glucuronides |
| Plant Source : | Calendula officinalis |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Antipruritic effect, Immunomodulatory activity Improve cytokine production, antifungal, antibacterial |
| Description : | Saponins of oleanolic acid with different constituents of glucose or xylose containing acetal and dioxolane-type substituents |
| IUPAC Name | 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| SMILES | O=C(O)C12CCC(C)(C)CC2C2=CCC3C(C)(CCC4C(C)(C)C(OC5OC(C(O)C(O)C5O)C(=O)O)CCC34C)C2(C)CC1 |
| Formula | C36H56O9 |
| InchiKey | IUCHKMAZAWJNBJ-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Terpene glycosides |
| LogP | 4.828 |
| Molecular weight | 632.824 |
| Hydrogen Bond Acceptor | 9 |
| Hydrogen Bond Donor | 5 |
| Polar surface area | 156.539 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 0 |
| Number of rings | 6 |
| Absorption level | Very low |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
