ImmunoCR
A repository of plant based immunomodulatory compounds
ImmunoCR
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Nutraceutical Profile

ImmunCR Id : ICR32
Chemical Name : Ellagic acid
Plant Source : Punica granatum
Nutraceutical information : Edible, high content in pomegranate
Mode of administration : Oral
Immunomodulatory mechanism : Studied for treatment of Follicular Lymphoma (phase 2 trial), protection from brain injury of intrauterine growth restricted babies (phase 1 and 2 trial), improvement of cardiovascular function in adolescents who are obese (phase 2 trial), and topical treatment of solar lentigines; antioxidant and anti-proliferative effects. Inhibits the targets: Carbonic Anhydrase 1-5A, 5B(mitochondrial)-9, 12, 14, camp-dependent protein kinase catalytic subunit alpha, Protein kinase C alpha/beta, Tyrosine protein kinase SYK, Squalene monooxygenase
Description : It is a polyphenol largely occuring as ellagitannins in dicotyledon plants, acting as an antioxidant. It is the dilactone of hexahydroxydiphenic acid.

Chemical Structure Information

IUPAC Name 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione  
SMILES C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
Formula C14H6O8
InchiKey AFSDNFLWKVMVRB-UHFFFAOYSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Tannins
Subclass Hydrolyzable tannins

Physicochemical properties

LogP 1.584
Molecular weight 302.193
Hydrogen Bond Acceptor 8
Hydrogen Bond Donor 4
Polar surface area 135.723
No. of rotatable bonds 0
Number of Aromatic Rings 2
Number of rings 4

ADMET Properties

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

Other Biological Properties

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References

    1. https://doi.org/10.1002/ptr.5271
    2. https://go.drugbank.com/drugs/DB08846


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