ImmunoCR
A repository of plant based immunomodulatory compounds
ImmunoCR
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Nutraceutical Profile

ImmunCR Id : ICR34
Chemical Name : Epicatechin
Plant Source : Malus domestica
Nutraceutical information : Edible, Higest content in Cacao dark chocolate, Green Tea, Apple
Mode of administration : Oral, tablets
Immunomodulatory mechanism : Protects cells from oxidative stress, antioxidant. Stimulates mitochondrial respiration and biogenesis, thus interfering with Warburg metabolism. At the cell signaling level, the compound inhibits Erk signaling, which interferes with other signaling pathways including EGFR that are known to be hyperactive in cancer.
Description : A bioactive polyphenolic catechin.

Chemical Structure Information

IUPAC Name (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol  
SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
Formula C15H14O6
InchiKey PFTAWBLQPZVEMU-UKRRQHHQSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Flavonoids
Subclass Flavans

Physicochemical properties

LogP 2.021
Molecular weight 290.268
Hydrogen Bond Acceptor 6
Hydrogen Bond Donor 5
Polar surface area 113.007
No. of rotatable bonds 1
Number of Aromatic Rings 2
Number of rings 3

ADMET Properties

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

Other Biological Properties

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References

    1. https://doi.org/10.1002/fft2.129
    2. https://doi: 10.1155/2015/181260.


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