| ImmunCR Id : | ICR75 |
| Chemical Name : | Isobutylshikonin |
| Plant Source : | Lithospermum erythrorhizon |
| Nutraceutical information : | --- |
| Mode of administration : | --- |
| Immunomodulatory mechanism : | Reduced cell viability, cell apoptosis |
| Description : | It is a napthoquinone compound extracted from the roots of L. Erythrorhizon, can also be extracted from Arnebia euchroma. |
| IUPAC Name | [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate |
| SMILES | CC(C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| Formula | C20H22O6 |
| InchiKey | OKTZPYAPMRHVSN-UHFFFAOYSA-N |
| Kingdom | Organic compounds |
| Superclass | --- |
| Class | --- |
| Subclass | --- |
| LogP | 3.953 |
| Molecular weight | 358.385 |
| Hydrogen Bond Acceptor | 6 |
| Hydrogen Bond Donor | 2 |
| Polar surface area | 102.463 |
| No. of rotatable bonds | 6 |
| Number of Aromatic Rings | 1 |
| Number of rings | 2 |
| Absorption level | Good |
| Solubility level | Very Soluble |
| Blood Brain Barrier | Undefined |
| Plasma protein binding | Binder |
| CYP2D6 inhibition | Non-Inhibitor |
