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caffeine (Q60235)

From Wikidata
chemical compound
  • methyltheobromine
  • 1,3,7-trimethyl-2,6-dioxopurine
  • 1,3,7-trimethylxanthine
  • theine
  • 7-methyltheophylline
  • 1-methyltheobromine
  • guaranine
  • 1,3,7-trimethylpurine-2,6-dione
  • 1,3,7-trimethylpurine-2,6-quinone
  • 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1-Methyl-Theobromine
  • 7-Methyl Theophylline
  • 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
  • teína
  • 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
  • anhydrous caffeine (JP15)
  • hycomine
  • methyltheobromide
  • monohydrate caffeine
  • lanorinal
  • methylxanthine theophylline
  • caféine
  • mateína
  • cafeína
  • coffein
  • koffein
  • coffeinum
  • anhydrous caffeine
  • caffeinum
  • thein
edit
Language Label Description Also known as
default for all languages
No label defined
    English
    caffeine
    chemical compound
    • methyltheobromine
    • 1,3,7-trimethyl-2,6-dioxopurine
    • 1,3,7-trimethylxanthine
    • theine
    • 7-methyltheophylline
    • 1-methyltheobromine
    • guaranine
    • 1,3,7-trimethylpurine-2,6-dione
    • 1,3,7-trimethylpurine-2,6-quinone
    • 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione
    • 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • 1-Methyl-Theobromine
    • 7-Methyl Theophylline
    • 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
    • teína
    • 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
    • anhydrous caffeine (JP15)
    • hycomine
    • methyltheobromide
    • monohydrate caffeine
    • lanorinal
    • methylxanthine theophylline
    • caféine
    • mateína
    • cafeína
    • coffein
    • koffein
    • coffeinum
    • anhydrous caffeine
    • caffeinum
    • thein

    Statements

    has use
    medication
    0 references
    drug
    0 references
    image
    Caffeine USP.jpg
    1,402 × 910; 329 KB
    0 references
    Sublimated caffeine.jpg
    1,600 × 898; 162 KB
    0 references
    mass
    194.08 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    2519
    language of work or name
    English
    title
    caffeine (English)
    retrieved
    19 October 2016
    194.08037556 dalton
    1 reference
    based on heuristic
    inferred from SMILES
    named after
    coffee
    0 references
    canonical SMILES
    CN1C=NC2=C1C(=O)N(C(=O)N2C)C
    1 reference
    stated in
    PubChem
    PubChem CID
    2519
    language of work or name
    English
    title
    caffeine (English)
    retrieved
    19 November 2016
    isomeric SMILES
    Cn1c(=O)c2c(ncn2C)n(C)c1=O
    0 references
    density
    1.23 gram per cubic centimetre
    1 reference
    imported from Wikimedia project
    Russian Wikipedia
    active ingredient in
    Cafcit
    1 reference
    stated in
    RxNorm
    RxNorm ID
    261469
    retrieved
    14 February 2018
    chocolate
    0 references
    found in taxon
    Coffea arabica
    33 references
    stated in
    Coffee, Tea, Cocoa
    stated in
    Chlorogensäure in Semen Coffeae und ihre Veränderung beim Röstprozeß. 3. Mitteilung
    stated in
    Reproducibility of the determination of caffeine in coffee by micellar electrokinetic capillary chromatography
    stated in
    Biotransformation of theobromine to caffeine in suspension and polyurethane foam immobilized coffee (Coffea arabica L.) cells
    stated in
    Genetically decaffeinated coffee
    stated in
    Purine alkaloid formation in buds and developing leaflets of Coffea arabica: Expression of an optimal defence strategy?
    stated in
    Stimulation of caffeine biosynthesis in suspension-cultured coffee cells and the in situ existence of 7-methylxanthosine
    stated in
    Are xanthosine and 7-methylxanthosine caffeine precursors?
    stated in
    Caffeine biosynthesis starts with the metabolically channelled formation of 7-methyl-XMP—A new hypothesis
    stated in
    Simultaneous determination of total chlorogenic acid and caffeine in coffee by high performance gel filtration chromatography
    stated in
    Inhibition of caffeine biosynthesis in tea (Camellia sinensis) and coffee (Coffea arabica) plants by ribavirin
    stated in
    Stress induced formation of purine alkaloids in plant tissue culture of Coffea arabica
    stated in
    7-methylxanthosine—An intermediate in caffeine biosynthesis
    stated in
    Biosynthesis of theobromine and caffeine in developing leaves of Coffea arabica
    stated in
    Separation of the N-7 methyltransferase, the key enzyme in caffeine biosynthesis
    stated in
    Caffeine, trigonelline, chlorogenic acids and sucrose diversity in wild Coffea arabica L. and C. canephora P. accessions
    stated in
    Studies on the Metabolic Control of Caffeine Turnover in Developing Endosperms and Leaves of Coffea arabica and Coffea dewevrei
    stated in
    Biosynthesis and biodegradation of caffeine, theobromine, and theophylline in Coffea arabica L. fruits
    stated in
    Decaffeination. A process to detoxify coffee pulp
    stated in
    New tryptamine derivatives isolated from wax of green coffee beans
    stated in
    Biosynthesis and catabolism of caffeine in low-caffeine-containing species of Coffea
    stated in
    Near-infrared reflectance and Fourier transform infrared analysis of instant coffee mixtures
    stated in
    Development of an HPLC/Diode-Array Detector Method for Simultaneous Determination of Trigonelline, Nicotinic Acid, and Caffeine in Coffee
    stated in
    Determination of Soluble Solids in Roasted Coffee
    stated in
    Purine Alkaloids of the Fruits of Camellia sinensis L. and Coffea arabica L. during Fruit Development*
    stated in
    Regulation of Purine Metabolism in Intact Leaves of Coffea arabica
    stated in
    Biosynthesis of Caffeine in Leaves of Coffee
    stated in
    HPLC Determination of Caffeine and Theobromine in Coffee, Tea, and Instant Hot Cocoa Mixes
    stated in
    Selective phyto-toxicity of 1,3,7-trimethylxanthine between Phaseolus mungo and some weeds.
    stated in
    The role of xanthosine in the biosynthesis of caffeine in coffee plants.
    stated in
    Studies on the Factors Affecting the Formation of Hydrogen Peroxide in Coffee
    stated in
    Coffee, Tea, and Cocoa
    stated in
    N-methyltransferase activities in suspension cultures of Coffea arabica L.
    Camellia sinensis
    52 references
    stated in
    Caffeine and theanine from cultured cells of Camellia sinensis
    stated in
    Bioactive saponins and glycosides. XXVIII. New triterpene saponins, foliatheasaponins I, II, III, IV, and V, from Tencha (the leaves of Camellia sinensis).
    stated in
    Medicinal flowers. XIV. New acylated oleanane-type triterpene oligoglycosides with antiallergic activity from flower buds of chinese tea plant (Camellia sinensis).
    stated in
    Medicinal flowers. XXII. Structures of chakasaponins V and VI, chakanoside I, and chakaflavonoside A from flower buds of Chinese tea plant (Camellia sinensis).
    stated in
    Purine Alkaloids of the Fruits of Camellia sinensis L. and Coffea arabica L. during Fruit Development*
    stated in
    Caffeine biosynthesis in young leaves of Camellia sinensis: In vitro studies on N-methyltransferase activity involved in the conversion of xanthosine to caffeine
    stated in
    Inhibition of caffeine biosynthesis in tea (Camellia sinensis) and coffee (Coffea arabica) plants by ribavirin
    stated in
    Coffee, Tea, Cocoa
    stated in
    Quantitative analysis of the active constituents in green tea
    stated in
    Effect of plucking intervals on the chemical constituents of CTC black teas.
    stated in
    Caffeine and theobromine formation by tissue cultures of Camellia sinensis
    stated in
    HPLC Determination of Caffeine and Theobromine in Coffee, Tea, and Instant Hot Cocoa Mixes
    stated in
    Separation of the components in black tea infusion by chromatography on Toyopearl.
    stated in
    Tannins and Related Compounds. CXIV. Structures of Novel Fermentation Products, Theogallinin, Theaflavonin and Desgalloyl Theaflavonin from Black Tea, and Changes of Tea Leaf Polyphenols during Fermentation.
    stated in
    Selection of column and gradient elution system for the separation of catechins in green tea using high-performance liquid chromatography
    stated in
    Relationship between antimutagenic activity and major components of various teas
    stated in
    Survey of Catechins, Gallic Acid, and Methylxanthines in Green, Oolong, Pu-erh, and Black Teas
    stated in
    Quantitative Analysis of (-)-Epigallocatechin Gallate in Tea Leaves by High-Performance Liquid Chromatography
    stated in
    Simultaneous analysis of individual catechins and caffeine in green tea
    stated in
    HPLC determination of catechins and caffeine in tea. Differentiation of green, black and instant teas
    stated in
    Rapid determination of caffeine in tea leaves
    stated in
    ANALYSIS OF GREEN TEA CONSTITUENTS BY HPLC-FTIR
    stated in
    Purine base pattern of camellia irrawadiensis
    stated in
    Effects of crude drugs on experimental hypercholesterolemia. I. Tea and its active principles
    stated in
    Natural antioxidants. I. Antioxidative components of tea leaf (Thea sinensis L.).
    stated in
    Inhibitory effect of six green tea catechins and caffeine on the growth of four selected human tumor cell lines
    stated in
    Protective Effect of Green Tea Extract and Tea Polyphenols against the Cytotoxicity of 1,4-Naphthoquinone in Isolated Rat Hepatocytes
    stated in
    Application of capillary electrophoresis to tea quality estimation
    stated in
    Kinetics and equilibria of tea infusion: Part 9. The rates and temperature coefficients of caffeine extraction from green Chun Mee and black Assam Bukial teas
    stated in
    Effects of a component of green tea on the proliferation of vascular smooth muscle cells
    stated in
    Inhibition of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) mutagenicity by black and green tea extracts and polyphenols
    stated in
    Indonesian medicinal plants. XXV. Cancer cell invasion inhibitory effects of chemical constituents in the parasitic plant Scurrula atropurpurea (Loranthaceae).
    stated in
    Isolation of caffeine and theophylline from ripe tea seeds
    stated in
    Purine alkaloids in Camellia sinensis flowers.
    stated in
    Application of Host–Guest Complexation Method to Isolation of Natural Product
    stated in
    Adenine metabolism and the synthesis of purine alkaloids in flowers of Camellia
    stated in
    Caffeine, theanine and catechin content in calluses of tea stem and anther.
    stated in
    Spectrophotometric method for the quantitative determination of caffeine in the hulls of ripe tea seeds
    stated in
    Biosynthesis of Caffeine from Purine Nucleotides in Tea Plant
    stated in
    Biosynthesis of theobromine and caffeine in developing leaves of Coffea arabica
    stated in
    Caffeine Metabolism in High and Low Caffeine Containing Cultivars of Camellia sinensis
    stated in
    Metabolism of Caffeine and Related Purine Alkaloids in Leaves of Tea (Camellia sinensis L.)
    stated in
    Purine Alkaloid Biosynthesis in Young Leaves of Camellia sinensis in Light and Darkness
    stated in
    A new caffeine biosynthetic pathway in tea leaves: utilisation of adenosine released from the S-adenosyl-L-methionine cycle
    stated in
    Distribution and biosynthesis of caffeine in plants
    stated in
    Conversion of xanthosine into caffeine in tea plants.
    stated in
    Biosynthesis and Catabolism of Purine Alkaloids in Camellia Plants
    stated in
    Seasonal variations in biosynthetic capacity for the synthesis of caffeine in tea leaves
    stated in
    Compositional Change of Pu-erh Tea during Processing
    stated in
    Determination of caffeine in tea by high-performance liquid chromatography.
    stated in
    Purine Alkaloids in Camellia sinensis Flowers
    stated in
    Effect of caffeine on shot-hole borer beetle (Xyleborusfornicatus) of tea (Camellia sinensis)
    physically interacts with
    MCN code
    2939.30.10
    0 references
    has part(s)
    oxygen
    0 references
    carbon
    0 references
    nitrogen
    0 references
    hydrogen
    0 references
    Commons category
    Caffeine
    0 references

    Identifiers

    NDL Authority ID
    00564463
    0 references
    NL CR AUT ID
    ph318951
    subject named as
    kofein
    0 references
    Reaxys registry number
    17705
    1 reference
    stated in
    ChEBI
    ChEBI ID
    27732
    language of work or name
    English
    title
    caffeine (English)
    retrieved
    19 October 2016
    Gmelin number
    103040
    0 references
    UniChem compound ID
    39562
    0 references
    ICSC ID
    0405
    0 references
    CAMEO Chemicals ID
    19945
    0 references
    HSDB ID
    36
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    36
    publication date
    28 October 2019
    title
    CAFFEINE (English)
    retrieved
    10 May 2021
    NSC number
    5036
    0 references
    755917
    0 references
    FL number
    16.016
    1 reference
    quotation
    CAS no.: 58-08-2 (English)
    stated in
    EFSA database
    retrieved
    23 January 2021
    FL number
    16.016
    CosIng number
    32304
    1 reference
    stated in
    CosIng database
    CosIng number
    32304
    retrieved
    28 December 2019
    title
    CAFFEINE (English)
    quotation
    CAS no.: 58-08-2 (English)
    AGROVOC ID
    c_1183
    0 references
    UM-BBD compound ID
    c1094
    0 references
    DrugCentral ID
    463
    0 references
    KEGG ID
    D00528
    1 reference
    stated in
    ChEBI
    ChEBI ID
    27732
    language of work or name
    English
    title
    caffeine (English)
    retrieved
    19 October 2016
    PDB ligand ID
    CFF
    0 references
    AUSNUT food ID
    14B10182
    0 references
    DeCS ID
    2143
    0 references
    HCIS ID
    795
    0 references
    KBpedia ID
    Caffeine
    1 reference
    stated in
    KBpedia
    retrieved
    9 July 2020
    LEM ID
    LEM201009766
    0 references
    Lex ID
    koffein
    0 references
    NALT ID
    21000
    0 references
    Namuwiki ID
    카페인
    0 references
    PDB structure ID
    PM20 ware ID
    143117
    subject named as
    Koffein
    0 references
    UNSPSC Code
    51142610
    0 references
    WikiKids ID
    Cafeïne
    0 references
    WordNet 3.1 Synset ID
    14785301-n
    1 reference
    stated in
    GF WordNet
    Yle topic ID
    18-17930
    0 references
    YSA ID
    Y175418
    0 references
    YSO ID
    24065
    0 references
     
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