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  Psychoactive Plant Database - Neuroactive Phytochemical Collection





Worldwide, there are plants known as psychoactive plants that naturally contain psychedelic active components. They have a high concentration of neuroprotective substances that can interact with the nervous system to produce psychedelic effects. Despite these plants' hazardous potential, recreational use of them is on the rise because of their psychoactive properties. Early neuroscience studies relied heavily on psychoactive plants and plant natural products (NPs), and both recreational and hazardous NPs have contributed significantly to the understanding of almost all neurotransmitter systems. Worldwide, there are many plants that contain psychoactive properties, and people have been using them for ages. Psychoactive plant compounds may significantly alter how people perceive the world.

 

Compound Summary

 

PLANT NAME:- Theobroma cacao     PPD ID:- PPD_ID98_19


COMPOUND/COMMON NAME:- Theobromine
CAS ID
83-67-0
INCHI KEY
YAPQBXQYLJRXSA-UHFFFAOYSA-N
MOLECULAR WEIGHT
180.17
MOLECULAR FORMULA
C7H8N4O2 
MOLECULAR MASS
180.065
BIOLOGICAL SOURCE
Constit. of tea leaves (Camellia thea), Theobroma cacao (cocoa), Cola acuminata, Paullinia cupana and some Ilex and Acer spp. 
DATA SOURCE
Dictionary of Natural Product. http://dnp.chemnetbase.com.
CHEMICAL CLASS OF COMPOUND
Imidazopyrimidines
NLRP3 DOCKING SCORE(Kcal/mol)
-6.122
CANONICAL SMILES   Cn1cnc2c1c(=O)[nH]c(=O)n2C
BIOACTIVITY REPORTED FOR NEURODEGENERATIVE DISEASES   Yes
SYNONYMS
3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine, Diurobromine, Santheose, Thesal, FEMA 3591, Many other names 
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