| ImmunCR Id : | ICR104 |
| Chemical Name : | Nigellone |
| Plant Source : | Nigella sativa L. |
| Nutraceutical information : | Edible, Black seed consumed mostly with honey |
| Mode of administration : | Oral, essential oils |
| Immunomodulatory mechanism : | Anti-allergic (inhibits histamine from mast cells); Anti-diabetic (lowers blood glucose levels) |
| Description : | Nigellone is the active component of Black seed (Nigella sativa) and a carbonyl polymer of thymoquinone, belonging to the family Ranunculacea. N. Sativa is said to cure all diseases besides death and is used as a dietary supplement to boost immune system. |
| IUPAC Name | 4b,8b-dimethyl-3,7-di(propan-2-yl)-4a,8a-dihydrobiphenylene-1,4,5,8-tetrone |
| SMILES | CC(C)C1=CC(=O)C2(C(C1=O)C3(C2C(=O)C(=CC3=O)C(C)C)C)C |
| Formula | C20H24O4 |
| InchiKey | FPRGRROJPRIHJP-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Diterpenoids |
| LogP | 3.004 |
| Molecular weight | 328.402 |
| Hydrogen Bond Acceptor | 4 |
| Hydrogen Bond Donor | 0 |
| Polar surface area | 69.203 |
| No. of rotatable bonds | 2 |
| 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 |
