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theobromine (Q206844)

From Wikidata

chemical compound

3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3,7-dimethylxanthine
theobromin
3,7-dimethylpurine-2,6-dione
diurobromine
3,7-dimethyl-xanthine
2,6-dihydroxy-3,7-dimethyl-purine
3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Language	Label	Description	Also known as
default for all languages	No label defined
English	theobromine	chemical compound	3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 3,7-dimethylxanthine theobromin 3,7-dimethylpurine-2,6-dione diurobromine 3,7-dimethyl-xanthine 2,6-dihydroxy-3,7-dimethyl-purine 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

Statements

type of chemical entity

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dimethylxanthine

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theobromine:S-adenosyl-L-methionine 1-N-methyltransferase activity

1 reference

http://geneontology.org/external2go/rhea2go

1 February 2021

1 reference

Theobromine (English)

language of work or name

publication date

17 November 2015

chemical structure

Theobromin - Theobromine.svg
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structure representation with labelled terminal carbon atoms

reason for preferred rank

preferred chemical structure representation

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Theobromine.svg
512 × 497; 3 KB

structure representation with unlabelled terminal carbon atoms

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chemical formula

C₇H₈N₄O₂

1 reference

language of work or name

theobromine (English)

19 November 2016

canonical SMILES

CN1C=NC2=C1C(=O)NC(=O)N2C

1 reference

language of work or name

theobromine (English)

19 November 2016

351 degree Celsius

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imported from Wikimedia project

Russian Wikipedia

348 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

defined daily dose

4 gram

route of administration

oral administration

1 reference

https://www.whocc.no/atc_ddd_index/?code=C03BD01

active ingredient in

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Theobroma cacao

12 references

Identification of procyanidins in cocoa (Theobroma cacao) and chocolate using high-performance liquid chromatography/mass spectrometry

Extraction of purine alkaloids from cocoa tissues and determination by high-performance liquid chromatography

Purine alkaloids in seeds ofTheobroma species from the Amazon

Simple method for the determination of alkaloids in cocoa using paper chromatography and UV spectrometry

Purine alkaloid distribution with Herrania and Theorbroma

Extraction of methylxanthines from guaraná seeds, maté leaves, and cocoa beans using supercritical carbon dioxide and ethanol

Purine Alkaloid Production and Accumulation in Cocoa Callus and Suspension Cultures

HPLC Determination of Caffeine and Theobromine in Coffee, Tea, and Instant Hot Cocoa Mixes

Caffeine and Theobromine Levels in Cocoa and Carob Products

Constituents of Cocoa Husks

Biosynthesis, accumulation and degradation of theobromine in developing Theobroma cacao fruits

Developmental variation of sugars, carboxylic acids, purine alkaloids, fatty acids, and endoproteinase activity during maturation of Theobroma cacao L. seeds

1 reference

Mate substitutes or adulterants: study of xanthine content

Ilex brevicuspis

1 reference

Mate substitutes or adulterants: study of xanthine content

1 reference

Mate substitutes or adulterants: study of xanthine content

1 reference

Mate substitutes or adulterants: study of xanthine content

Ilex microdonta

1 reference

Mate substitutes or adulterants: study of xanthine content

Ilex pseudobuxus

1 reference

Mate substitutes or adulterants: study of xanthine content

1 reference

Supraventricular tachycardia induced by chocolate: is chocolate too sweet for the heart?

Camellia irrawadiensis

4 references

Purine base pattern of camellia irrawadiensis

Adenine metabolism and the synthesis of purine alkaloids in flowers of Camellia

Biosynthesis and Catabolism of Purine Alkaloids in Camellia Plants

Identification of a major polyphenol and polyphenolic composition in leaves of Camellia irrawadiensis

1 reference

Caffeine in Citrus flowers

1 reference

Caffeine in Citrus flowers

Scurrula atropurpurea

1 reference

Indonesian medicinal plants. XXV. Cancer cell invasion inhibitory effects of chemical constituents in the parasitic plant Scurrula atropurpurea (Loranthaceae).

Camellia multisepala

1 reference

Theacrine (1,3,7,9-tetramethyluric acid) synthesis in leaves of a Chinese tea, kucha (Camellia assamica var. kucha).

Camellia japonica

1 reference

Purine base pattern of camellia irrawadiensis

Camellia oleifera

1 reference

Purine base pattern of camellia irrawadiensis

Camellia sasanqua

1 reference

Purine base pattern of camellia irrawadiensis

Camellia vernalis

1 reference

Purine base pattern of camellia irrawadiensis

8 references

Purine alkaloid formation in buds and developing leaflets of Coffea arabica: Expression of an optimal defence strategy?

Caffeine biosynthesis starts with the metabolically channelled formation of 7-methyl-XMP—A new hypothesis

Stress induced formation of purine alkaloids in plant tissue culture of Coffea arabica

Biosynthesis of theobromine and caffeine in developing leaves of Coffea arabica

Biosynthesis and biodegradation of caffeine, theobromine, and theophylline in Coffea arabica L. fruits

Purine Alkaloids of the Fruits of Camellia sinensis L. and Coffea arabica L. during Fruit Development*

Separate de Novo and Salvage Purine Pools Are Involved in the Biosynthesis of Theobromine but Not Caffeine in Leaves of Coffea arabica L.

N-methyltransferase activities in suspension cultures of Coffea arabica L

Coffea homollei

1 reference

Caffeine and theobromine in green beans from Mascarocoffea

Coffea kianjavatensis

1 reference

Caffeine and theobromine in green beans from Mascarocoffea

Coffea lancifolia

1 reference

Caffeine and theobromine in green beans from Mascarocoffea

1 reference

Behavioral effects resulting from sub-chronic treatment of rats with extract of fresh stabilized cola seeds

Festuca pratensis

1 reference

Paper chromatography of alkaloids of tall fescue hay

1 reference

Ritualistic use of the holly Ilex guayusa by Amazonian Jivaro Indians

4 references

Theobromine, theophylline, and caffeine in 42 samples and products of Guaraná (Paullinia cupana, Sapindaceae)

Guaraná (Paullinia cupana) rewards seed dispersers without intoxicating them by caffeine

Liquid Chromatographic Determination of Methylxanthines and Catechins in Herbal Preparations Containing Guaraná

The Xanthine Content of Guarana and Its Preparations

Pseudomonas putida

1 reference

Studies on the microbial production of theobromine and heteroxanthine from caffeine

Theobroma mammosum

1 reference

Purine alkaloid distribution with Herrania and Theorbroma

Theobroma speciosum

1 reference

Purine alkaloids in seeds ofTheobroma species from the Amazon

1 reference

Comparative study of the reversed-phase high-performance liquid chromatography of black tea liquors with special reference to the thearubigins

Herrania mariae

1 reference

Purine alkaloids in seeds ofTheobroma species from the Amazon

Citrus × paradisi

1 reference

Caffeine in Citrus flowers

10 references

Mate substitutes or adulterants: study of xanthine content

Caffeine and theobromine in epicuticular wax of Ilex paraguariensis A. St.-Hil

Methylxanthines accumulation in Ilex species - caffeine and theobromine in erva-mate (Ilex paraguariensis) and other Ilex species

Purine base pattern of camellia irrawadiensis

Studies on mate drinking

Extraction of purine alkaloids from maté (Ilex paraguariensis) using supercritical CO(2)

High-performance capillary electrophoresis analysis of mate infusions prepared from stems and leaves of Ilex paraguariensis using automated micellar electrokinetic capillary chromatography

Chlorogenic acids and purine alkaloids contents of Maté (Ilex paraguariensis) leaf and beverage

Purine metabolism and the biosynthesis of caffeine in maté leaves

Brazilian natural medicines. III. structures of triterpene oligoglycosides and lipase inhibitors from mate, leaves of ilex paraguariensis

Theobroma grandiflorum

2 references

Purine alkaloids in seeds ofTheobroma species from the Amazon

Purine alkaloid distribution with Herrania and Theorbroma

Camellia ptilophylla

1 reference

Biosynthesis and metabolism of purine alkaloids in leaves of cocoa tea (Camellia ptilophylla)

1 reference

THEOBROMIN INILEX PERADOBLÄTTERN

Camellia taliensis

4 references

Identification of a major polyphenol and polyphenolic composition in leaves of Camellia irrawadiensis

Purine base pattern of camellia irrawadiensis

Adenine metabolism and the synthesis of purine alkaloids in flowers of Camellia

Biosynthesis and Catabolism of Purine Alkaloids in Camellia Plants

1 reference

Paper chromatography of alkaloids of tall fescue hay

Camellia sinensis

15 references

Caffeine and theanine from cultured cells of Camellia sinensis

Purine Alkaloids of the Fruits of Camellia sinensis L. and Coffea arabica L. during Fruit Development*

Caffeine and theobromine formation by tissue cultures of Camellia sinensis

HPLC Determination of Caffeine and Theobromine in Coffee, Tea, and Instant Hot Cocoa Mixes

Survey of Catechins, Gallic Acid, and Methylxanthines in Green, Oolong, Pu-erh, and Black Teas

ANALYSIS OF GREEN TEA CONSTITUENTS BY HPLC-FTIR

Purine base pattern of camellia irrawadiensis

Indonesian medicinal plants. XXV. Cancer cell invasion inhibitory effects of chemical constituents in the parasitic plant Scurrula atropurpurea (Loranthaceae).

Purine alkaloids in Camellia sinensis flowers.

Adenine metabolism and the synthesis of purine alkaloids in flowers of Camellia

Caffeine, theanine and catechin content in calluses of tea stem and anther.

Biosynthesis of Caffeine from Purine Nucleotides in Tea Plant

Biosynthesis of theobromine and caffeine in developing leaves of Coffea arabica

Metabolism of Caffeine and Related Purine Alkaloids in Leaves of Tea (Camellia sinensis L.)

Purine Alkaloids in Camellia sinensis Flowers

physically interacts with

taste receptor type 2

subject has role

1 reference

Comprehensive Analysis of Mouse Bitter Taste Receptors Reveals Different Molecular Receptive Ranges for Orthologous Receptors in Mice and Humans

180.065 dalton

1 reference

language of work or name

theobromine (English)

19 October 2016

described by source

Otto's encyclopedia

statement is subject of

1 reference

Meyers Konversations-Lexikon, 4th edition (1885–1890)

statement is subject of

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has characteristic

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subject has role

vasodilator agent

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Medical Subject Headings

MeSH descriptor ID

15 March 2018

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Medical Subject Headings

MeSH descriptor ID

15 March 2018

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1 reference

imported from Wikimedia project

English Wikipedia

Wikimedia import URL

https://en.wikipedia.org/w/index.php?title=Theobromine&oldid=949753988

Commons category

Theobromine

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Identifiers

1 reference

Integrated Authority File

26 September 2026

InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

1 reference

language of work or name