| ImmunCR Id : | ICR99 |
| Chemical Name : | Lignan |
| Plant Source : | Phyllanthus niruri |
| Nutraceutical information : | Edible, Flax seeds, tea, coffee, sesame seeds, strawberry, cucumber, asparagus, eggplant, grape, avocado, orange |
| Mode of administration : | Oral |
| Immunomodulatory mechanism : | Anti-Alzheimer (inhibits β-amyloid aggregation); Anti-inflammatory (inhibits NO generation); Anti-cancer (G1 phase cell cycle arrest, downregulates IFN-γ, IL-2, IL-4) |
| Description : | Lignan is a diphenolic compound containg two propy-benzene rings joined with β,β' bond. It is a phytoestrogen. |
| IUPAC Name | ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate |
| SMILES | CCOC(=O)C1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C |
| Formula | C25H30O8 |
| InchiKey | PEIBIXYUYBVLDS-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Lignans, neolignans and related compounds |
| Class | Aryltetralin lignans |
| Subclass | --- |
| LogP | 3.775 |
| Molecular weight | 458.501 |
| Hydrogen Bond Acceptor | 8 |
| Hydrogen Bond Donor | 0 |
| Polar surface area | 88.182 |
| No. of rotatable bonds | 9 |
| Number of Aromatic Rings | 2 |
| Number of rings | 3 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Medium |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
