ImmunoCR
A repository of plant based immunomodulatory compounds
ImmunoCR
Database
  • Home
  • About
  • Search
    • FSSAI Neutraceuticals

    • Immunomodulatory nutraceutical
      from regulatory bodies

    • Probiotics

  • Contact Us

Nutraceutical Profile

ImmunCR Id : ICR46
Chemical Name : Β-Carotene
Plant Source : Actinidia deliciosa
Nutraceutical information : Edible, carrot, pumpkin, spinach, tomatoe, watermelon and raspberries, cow milk
Mode of administration : Oral
Immunomodulatory mechanism : Obesity (production of interleukin (IL)-1β, IL-6, and tumor necrosis factor-alpha (TNF-α), modulating the physiology of adipocytes by producing β-apo-14′-carotenal, regulate lipogenesis through suppression of the peroxisome-proliferator-activated receptor (PPAR)-y); Type 2 Diabetes Mellitus (insulin resistance induced by DEHP (di-2-ethylhexyl phthalate)); Anti-inflammatory ( inhibits NF-κb and reduced IL-1β, IL-18, attenuated TNF-α); Antioxidant (ROS scavenging); secretion of immunomodulatory lipid molecules like leukotrienes and prostaglandins; Supports accumulation of platelets that is responsible for reconstruction of blood vessels,
Description : Β-Carotene a polyene compound belonging to the unoxidzed group of carotenoids with eight isoprene units and two β-ionone-ring at either ends. It is a secondary metabolite originating from acyclic structure and conjugated double bond along the long chain revealing its bright red-orange color. It is used as an additive in pharmaceutical industry for coloring the tablets and also for medicinal purpose due to its high bioactivity.

Chemical Structure Information

IUPAC Name 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene 
SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C
Formula C40H56
InchiKey OENHQHLEOONYIE-UHFFFAOYSA-N

Chemical Classification

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Tetraterpenoids

Physicochemical properties

LogP 11.998
Molecular weight 536.873
Hydrogen Bond Acceptor 0
Hydrogen Bond Donor 0
Polar surface area 0
No. of rotatable bonds 10
Number of Aromatic Rings 0
Number of rings 2

ADMET Properties

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

Other Biological Properties

  • Anti-angiogenesis, anti-cancer, anti-bacterial

References

    1. https://doi.org/10.1002/fft2.129
    2. https://doi.org/10.3390/molecules25245803
    3. https://doi:10.1016/j.intimp.2018.05.022
    4. https://doi.org/10.3390/foods11040502


Copyright © 2025 CSIR - Indian Institute of Toxicology Research
Toxicoinformatics & Industrial Research Group