ImmunoCR
A repository of plant based immunomodulatory compounds
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Nutraceutical Profile

ImmunCR Id : ICR149
Chemical Name : Pectin
Plant Source : Beetroot
Nutraceutical information : Nutritional supplement
Mode of administration : Locally, orally, by subcutaneous or intravenous injection, or per rectum.
Immunomodulatory mechanism : Pectin exhibited immunomodulatory activities by increasing the levels of the pro-inflammatory cytokines IL-17, IFN-γ and TNF-α levels
Description : Pectin is a heteropolysaccharide commercially derived from the cell wall of higher plants. It is composed of partially methylated polygalacturonic acid units linked in the positions 1-4. The carboxylic group of the constituents of pectin can exist in the form of esters, free acids, ammonium, potassium or sodium salts or as acid amides. Under the FDA regulation, pectin qualifies as a GRAS (generally recognized as safe) food substance. This status allows pectin to be used with no limitations.

Chemical Structure Information

IUPAC Name (2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILES [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
Formula C6H10O7
InchiKey AEMOLEFTQBMNLQ-DTEWXJGMSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Organic oxygen compounds
Class Organooxygen compounds
Subclass Carbohydrates and carbohydrate conjugates

Physicochemical properties

LogP -2.386
Molecular weight 194.139
Hydrogen Bond Acceptor 7
Hydrogen Bond Donor 5
Polar surface area 130.308
No. of rotatable bonds 1
Number of Aromatic Rings 0
Number of rings 1

ADMET Properties

Absorption level Very low
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/10.1016/j.ijbiomac.2018.09.189
    2. https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/pectin#:~:text=It%20was%20given%20in%20a
    3. the%20preparation%20for%20intravenous%20administration).


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