| ImmunCR Id : | ICR94 |
| Chemical Name : | Deoxyandrographolide |
| Plant Source : | Andrographis paniculata |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Anti-cancer (suppresses CYP1A superfamily gene function, activates heterocyclic amine, carcinogenic amino acids, caspase-3, p53, ); Anti-inflammatory (inhibit IL-6, IL-1β, TNF-α, NF-kb pathway, P13K/Akt signaling pathway) |
| Description : | Deoxy-AGP is a diterpenoid lactone derivative of Andrographolide belonging to family Acanthaceae with therapeutic potential as an antioxidant, anti-cancer, anti-microbial, anti-arthritic. It is abundantly found in Sri Lanka, south India, China and south Asia. |
| IUPAC Name | 4-[2-[(4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one |
| SMILES | CC1=C([C@@]2(CC[C@H]([C@@]([C@H]2CC1)(C)CO)O)C)CCC3=CCOC3=O |
| Formula | C20H30O4 |
| InchiKey | DAXSYTVXDSOSIE-HNJRGHQBSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | --- |
| LogP | 3.164 |
| Molecular weight | 334.45 |
| Hydrogen Bond Acceptor | 4 |
| Hydrogen Bond Donor | 2 |
| Polar surface area | 67.861 |
| No. of rotatable bonds | 4 |
| Number of Aromatic Rings | 0 |
| Number of rings | 3 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Medium |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
