ImmunoCR
A repository of plant based immunomodulatory compounds
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Nutraceutical Profile

ImmunCR Id : ICR116
Chemical Name : Delphinidin
Plant Source : Vaccinium myrtillus
Nutraceutical information : Edible, Grapes, faba beans, peas, hazlenuts, walnuts, lentils (green and red), pomegranate, banana, blueberry.
Mode of administration : Oral
Immunomodulatory mechanism : Anti-cancer (downregulates MAPK (mitogen activated protein kinase), COX-2, Bcl-2, inhibits NF-kb, AP-1, upregulates PARP cleavage, caspase-3,-9,-8, Bax, G2/M phase cell cycle arrest); Anti-inflammatory (inhibits HAT (Histone acetyltransferase), p65 acetylation, TNF-α, upregulates NF-kb); Antioxidant (upregulates p27, HIF-1, P13K/Akt/mtor signaling pathway); Hepatoprotective (upregulates MMP-9, metallothionein I/II); Neuroprotective (downregulates Ca2+, tau phosphorylation, inhibits SIN-1, lipid peroxidation, N-terminal nucleation of SNARE zippering); Anti-angiogenesis (inhibits VEGFR (vascular endothelial growth factor receptor), HIF-1α)
Description : Delphinidin, 2-(3, 4, 5-trihydroxyphenyl)chromenylium-3, 5, 7-triol is an anthocynanin diphenylpropane present in the epidermal tissues of fruits, vegetables, and flowers giving them their color and making them useful as a colorant in the food industry.

Chemical Structure Information

IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride 
SMILES C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.[Cl-]
Formula C15H11ClO7
InchiKey FFNDMZIBVDSQFI-UHFFFAOYSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Flavonoids
Subclass Hydroxyflavonoids

Physicochemical properties

LogP 0.122
Molecular weight 338.697
Hydrogen Bond Acceptor 6
Hydrogen Bond Donor 6
Polar surface area 137.447
No. of rotatable bonds 1
Number of Aromatic Rings 3
Number of rings 3

ADMET Properties

Absorption level 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/10.4103/2225-4110.139111
    2. https://doi.org/10.1016/S2221-6189(13)60123-7


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