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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:- Paullinia cupana     PPD ID:- PPD-ID40_27


COMPOUND/COMMON NAME:- 3-methylxanthine
CAS ID
N/A
INCHI KEY
GMSNIKWWOQHZGF-UHFFFAOYSA-N
MOLECULAR WEIGHT
166.14
MOLECULAR FORMULA
C6H6N4O2
MOLECULAR MASS
166.140
BIOLOGICAL SOURCE
Paullinia cupana
DATA SOURCE
Afendi, F. M., Okada, T., Yamazaki, M., Hirai-Morita, A., Nakamura, Y., Nakamura, K., Ikeda, S., Takahashi, H., Altaf-Ul-Amin, M., Darusman, L. K., Saito, K., & Kanaya, S. (2012). KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research. Plant & cell physiology, 53(2), e1. https://doi.org/10.1093/pcp/pcr165
CHEMICAL CLASS OF COMPOUND
Imidazopyrimidines
NLRP3 DOCKING SCORE(Kcal/mol)
-5.842
CANONICAL SMILES   Cn1c(=O)[nH]c(=O)c2[nH]cnc21
BIOACTIVITY REPORTED FOR NEURODEGENERATIVE DISEASES   Yes
SYNONYMS
3-Methylxanthine, 1076-22-8, 2,6-Dihydroxy-3-methylpurine, 3-Methyl-1H-purine-2,6(3H,7H)-dione, 3-methyl-7H-purine-2,6-dione, Xanthine, 3-methyl-, 3 MX, 3-METHYL XANTHINE, 3-methyl-7H-xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-, 3,7-Dihydro-3-methyl-1H-purine-2,6-dione, CCRIS 5817, UNII-WS6X982OEC, 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, EINECS 214-058-1, 3-methyl-3,7-dihydro-1H-purine-2,6-dione, WS6X982OEC, MFCD00005580, NSC 515466, CHEBI:62207, 3-methyl-9H-xanthine, 3-Methyl-3,9-dihydro-1H-purine-2,6-dione, N(1)-demethyltheophylline, CHEMBL619, NSC-515466, 3-Methyl-3,9-dihydro-purine-2,6-dione, CHEBI:62208, DTXSID90148107, THEOPHYLLINE IMPURITY B [EP IMPURITY], PENTOXIFYLLINE IMPURITY B [EP IMPURITY], THEOPHYLLINE MONOHYDRATE IMPURITY B [EP IMPURITY], 3-Methyl-3,7-dihydro-1H-purine-2,6-dione (3-Methylxanthine), THEOPHYLLINE IMPURITY B (EP IMPURITY), 3-methyl-3,7(9)-dihydro-purine-2,6-dione, PENTOXIFYLLINE IMPURITY B (EP IMPURITY), THEOPHYLLINE MONOHYDRATE IMPURITY B (EP IMPURITY), 3-methylxanthines, 3-methyl-xanthine, Spectrum_001898, 3-methyl-1H-purine-2,6(3H,9H)-dione, SpecPlus_000737, Linagliptin Intermediates, Spectrum2_000502, Spectrum3_001652, Spectrum4_001571, Spectrum5_001544, 3-Methylxanthine, 98%, 2-oxo-3-methylhypoxanthine, Oprea1_233226, Oprea1_288071, BSPBio_003403, KBioGR_002122, KBioSS_002428, BIDD:GT0266, DivK1c_006833, SCHEMBL237146, SPECTRUM1504182, SPBio_000423, SCHEMBL8663339, DTXCID8070598, 3-methyl-9H-purine-2,6-dione, CHEBI:62205, KBio1_001777, KBio2_002422, KBio2_004990, KBio2_007558, KBio3_002623, 1-METHYLXANTHINE (1-MX), BCP18161, BBL012772, BDBM50001515, CCG-39565, GEO-01981, NSC515466, s6186, STK776266, WLN: T56 BM DN FNVMVJ F1, AKOS002272340, AKOS004120009, AKOS006221835, CS-W020049, DS-1280, 3-methyl-3,7-dihydropurine-2,6-dione, 1H-Purine-2, 3,7-dihydro-3-methyl-, NCGC00095330-01, NCGC00095330-02, NCGC00178088-01, 3-Methyl-3,7-dihydro-purine-2,6-dione, HY-50723, PD001242, purine-2,6(1H,3H)-dione, 3-methyl-, SY031706, DB-040769, 3,9-dihydro-3-methyl-1H-purine-2,6-dione, M2073, NS00005277, EN300-212022, 3-Methyl-3,9-dihydro-1H-purine-2,6-dione #, 3-methyl-3,9-dihydro-2H,6H-purine-2,6-dione, J-505016, W-108741, 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-(9CI), Q27888118, Z1741977122, 3-Methyl-3,9-dihydro-purine-2,6-dione(3-methyl xanthine)
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