ImmunoCR
A repository of plant based immunomodulatory compounds
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Nutraceutical Profile

ImmunCR Id : ICR97
Chemical Name : Gingerol
Plant Source : Zingiber officinale Roscoe
Nutraceutical information : Edible, Ginger
Mode of administration : Oral
Immunomodulatory mechanism : Anti-cancer (inhibits NF-kb, VEGF, AP-1, COX-2, MAPK, EGF, MMP, inos, regulates JNK, IKK, Akt, P13K, CDK (1,2,4,6,7), Bcl-2, cyclin D1, upregulates ROS, Apaf-1 (protease-activating factor-1), caspase (3,7,8,9), Bcl-XL, p53); Anti-Alzheimer (downregulates COX-2, Aβ-42, APH1a, β-secretase); Anti-inflammatory (inhibits IL-6, IL-1β, NO, TNF-α, downregulates COX-2, inos)
Description : Gingerol is a phenolic compound containing beta hydroxy group, found largely in fresh ginger other plants of Zingiberaceae family. [6]-Gingerol being the biggest component followed by other [4], [8], [10], [12] analogues.

Chemical Structure Information

IUPAC Name (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one  
SMILES CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
Formula C17H26O4
InchiKey NLDDIKRKFXEWBK-UHFFFAOYSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Benzenoids
Class Phenols
Subclass Methoxyphenols

Physicochemical properties

LogP 3.638
Molecular weight 294.386
Hydrogen Bond Acceptor 4
Hydrogen Bond Donor 2
Polar surface area 67.861
No. of rotatable bonds 10
Number of Aromatic Rings 1
Number of rings 1

ADMET Properties

Absorption level Good
Solubility level Very Soluble
Blood Brain Barrier Medium
Plasma protein binding Binder
CYP2D6 inhibition Non-Inhibitor

Other Biological Properties

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References

    1. https://doi.org/10.13040/IJPSR.0975-8232.12(10).5229-37
    2. https://doi:10.1007/978-3-319-41342-6_8 
    3. https://doi.org/10.1038/s41598-017-02961-0


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