ImmunoCR
A repository of plant based immunomodulatory compounds
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Nutraceutical Profile

ImmunCR Id : ICR128
Chemical Name : Lactoferrin
Plant Source : Milk of various mammals and in other exocrine secretions such as tears, saliva, synovial fluids and blood
Nutraceutical information : ---
Mode of administration : ---
Immunomodulatory mechanism : A key immunomodulatory function (eg, APC activation, maturation, migration and antigen presentation) that may be mediated by Lactoferrin is the bridging of innate and adaptive cell functions for the T- and B- cell responses
Description : An iron-binding protein that was originally characterized as a milk protein. It is widely distributed in secretory fluids and is found in the neutrophilic granules of LEUKOCYTES. The N-terminal part of lactoferrin possesses a serine protease which functions to inactivate the type III secretion system used by bacteria to export virulence proteins for host cell invasion.

Chemical Structure Information

IUPAC Name (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,5-dihydroxy-5-iminopentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxyhexylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxyethylidene]amino]propanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1-hydroxy-3-methylbu
SMILES CCC(C)C(C(=NC(C(C)O)C(=NC(CS)C(=NC(C(C)C)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(C)C(=NC(CC1=CC=CC=C1)C(=O)O)O)O)O)O)O)O)O)N=C(C(CO)N=C(C2CCCN2C(=O)C(C)N=C(CN=C(C(CC(C)C)N=C(C(CCCCN)N=C(C(CCCCN)N=C(C(CCSC)N=C(C(CCCNC(=N)N)N=C(C(CC3=CNC4=CC=CC=C43)N=C(C(CCC(=N)O)N=C(C(CC5=CNC6=CC=CC=C65)N=C(C(CCCNC(=N)N)N=C(C(CCCNC(=N)N)N=C(C(CS)N=C(C(CCCCN)N=C(C(CC7=CC=CC=C7)N)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O
Formula C141H226N46O29S3
InchiKey CSSYQJWUGATIHM-IKGCZBKSSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Organic Polymers
Class Polypeptides
Subclass ---

Physicochemical properties

LogP 6.871
Molecular weight 3125.79
Hydrogen Bond Acceptor 65
Hydrogen Bond Donor 51
Polar surface area 1331.96
No. of rotatable bonds 108
Number of Aromatic Rings 6
Number of rings 7

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

  • ---

References

    1. https://doi.org/10.1038/aps.2013.200


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