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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_14


COMPOUND/COMMON NAME:- theobromine
CAS ID
N/A
INCHI KEY
YAPQBXQYLJRXSA-UHFFFAOYSA-N
MOLECULAR WEIGHT
180.16
MOLECULAR FORMULA
C7H8N4O2
MOLECULAR MASS
180.167
BIOLOGICAL SOURCE
Paullinia cupana
DATA SOURCE
U.S. Department of Agriculture, Agricultural Research Service. 1992-2016. Dr. Duke's Phytochemical and Ethnobotanical Databases. Home Page, http://phytochem.nal.usda.gov/ http://dx.doi.org/10.15482/USDA.ADC/1239279
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
theobromine, 83-67-0, 3,7-Dimethylxanthine, Diurobromine, Theosalvose, Santheose, Teobromin, Theostene, Thesodate, Thesal, 3,7-dimethylpurine-2,6-dione, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Theobromin, Xantheose, Xanthine, 3,7-dimethyl-, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, FEMA No. 3591, Theobrominum, Theobromine (natural), 2,6-Dihydroxy-3,7-dimethylpurine, SC 15090, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, NSC 5039, MFCD00022830, CCRIS 2350, BRN 0016464, HSDB 7332, UNII-OBD445WZ5P, NSC-5039, 519-41-5, EINECS 201-494-2, 2,6-Dihydroxy-3,7-dimethyl-purine, OBD445WZ5P, DTXSID9026132, CHEBI:28946, 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, CHEMBL1114, SC-15090, DTXCID506132, NSC5039, 5-26-13-00553 (Beilstein Handbook Reference), Theobromine (3,7-Dimethylxanthine), 3,7-dimethyl-1H-purine-2,6-dione, CAS-83-67-0, NCGC00016023-11, THEOBROMINE (IARC), THEOBROMINE [IARC], 3,7-Dimethyl-1H-purine-2,6(3H,7H)-dione, THEOBROMINE (MART.), THEOBROMINE [MART.], THEOBROMINE (EP IMPURITY), THEOBROMINE [EP IMPURITY], 7-Dimethylxanthine, PENTOXIFYLLINE IMPURITY A (EP IMPURITY), PENTOXIFYLLINE IMPURITY A [EP IMPURITY], SR-01000000069, Theobromine [INN:BAN:NF], 37T, Prestwick_1054, Theobromine(20%), 3,7-dimethylxanthin, Spectrum_000053, 3,7-Dimethyl-xanthine, Caffeine EP impurity D, THEOBROMINE [MI], Prestwick0_000874, Prestwick1_000874, Prestwick2_000874, Prestwick3_000874, Spectrum2_000985, Spectrum3_000279, Spectrum4_000403, Spectrum5_001387, Lopac-T-4500, THEOBROMINE [FHFI], THEOBROMINE [HSDB], THEOBROMINE [VANDF], THEOBROMINUM [HPUS], SCHEMBL3184, Theobromine, >=98.0%, 3,7-dimethyl-1,3,7-trihydropurine-2,6-dione, Lopac0_001187, BSPBio_000947, BSPBio_001758, KBioGR_000666, KBioSS_000433, THEOBROMINE [WHO-DD], MLS000028407, DivK1c_000611, SPECTRUM1500649, SPBio_001049, SPBio_002868, BPBio1_001043, Theobromine, analytical standard, HMS501O13, KBio1_000611, KBio2_000433, KBio2_003001, KBio2_005569, KBio3_001258, YAPQBXQYLJRXSA-UHFFFAOYSA-, NINDS_000611, HMS1570P09, HMS1921O13, HMS2092G04, HMS2097P09, HMS3263N15, HMS3714P09, Pharmakon1600-01500649, HY-N0138, Theobromine 0.1 mg/ml in Methanol, Theobromine, >=98.0% (HPLC), Tox21_110284, Tox21_300016, Tox21_501187, BBL034679, BDBM50014260, CCG-40078, NSC757407, PDSP1_001017, PDSP2_001001, s2368, STL419465, AKOS000121558, Tox21_110284_1, 5-26-13-00553 (Beilstein), CS-7972, DB01412, LP01187, NSC-757407, SDCCGMLS-0002875.P003, SDCCGSBI-0051154.P004, IDI1_000611, NCGC00016023-01, NCGC00016023-02, NCGC00016023-03, NCGC00016023-04, NCGC00016023-05, NCGC00016023-06, NCGC00016023-07, NCGC00016023-08, NCGC00016023-09, NCGC00016023-10, NCGC00016023-12, NCGC00016023-13, NCGC00016023-14, NCGC00016023-15, NCGC00016023-17, NCGC00016023-18, NCGC00016023-26, NCGC00024123-03, NCGC00024123-04, NCGC00024123-05, NCGC00024123-06, NCGC00024123-07, NCGC00024123-08, NCGC00179030-01, NCGC00179030-02, NCGC00253943-01, NCGC00261872-01, WLN: T56 BN DN FNVMVJ B1 F1, AC-11381, AC-34381, AS-13904, DA-68137, SMR000058357, SY048379, SBI-0051154.P003, 1H-Purine-2, 3,7-dihydro-3,7-dimethyl-, AB00052141, EU-0101187, NS00009946, T0178, EN300-16609, purine-2,6(1H,3H)-dione, 3,7-dimethyl-, C07480, D71206, T 4500, AB00052141_12, Q206844, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #, Q-100848, SR-01000000069-2, SR-01000000069-4, SR-01000000069-7, SR-01000000069-8, SR-01000000069-9, BRD-K34888156-001-08-8, BRD-K34888156-001-11-2, BRD-K34888156-213-01-4, CAFFEINE MONOHYDRATE IMPURITY D [EP IMPURITY], CEC63CCA-3B4B-4F4F-92C1-1789DF3C880A, SR-01000000069-10, Z56347209, 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI), Theobromine, European Pharmacopoeia (EP) Reference Standard, 3,7-DIMETHYLXANTHINE; 3,7-DIMETHYLPURINE-2,6-DIONE, Theobromine, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
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