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Namespace Prefixes

PrefixIRI
n2http://linked.opendata.cz/resource/drugbank/drug/
dctermshttp://purl.org/dc/terms/
n11http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/chemspider/
n17http://linked.opendata.cz/resource/AHFS/
n10http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/chebi/
n16http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/pharmgkb/
n12http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/wikipedia/
n8http://bio2rdf.org/drugbank:
n15http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/kegg-compound/
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n13http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/pubchem-compound/
n19http://wifo5-03.informatik.uni-mannheim.de/drugbank/resource/drugs/
n14http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/pubchem-substance/
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owlhttp://www.w3.org/2002/07/owl#
n18http://linked.opendata.cz/resource/drugbank/drug/DB01412/identifier/drugbank/
n3http://linked.opendata.cz/ontology/drugbank/
n4http://linked.opendata.cz/resource/drugbank/property/
xsdhhttp://www.w3.org/2001/XMLSchema#
n6http://linked.opendata.cz/resource/atc/
n5http://linked.opendata.cz/ontology/sukl/drug/

Statements

Subject Item
n2:DB01412
rdf:type
n3:Drug
n3:description
3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than theophylline and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)
n3:generalReferences
# Usmani OS, Belvisi MG, Patel HJ, Crispino N, Birrell MA, Korbonits M, Korbonits D, Barnes PJ: Theobromine inhibits sensory nerve activation and cough. FASEB J. 2005 Feb;19(2):231-3. Epub 2004 Nov 17. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/15548587 # Slattery ML, West DW: Smoking, alcohol, coffee, tea, caffeine, and theobromine: risk of prostate cancer in Utah (United States). Cancer Causes Control. 1993 Nov;4(6):559-63. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/8280834
n3:group
approved
n3:indication
theobromine is used as a vasodilator, a diuretic, and heart stimulant. And similar to caffeine, it may be useful in management of fatigue and orthostatic hypotension.
owl:sameAs
n8:DB01412 n19:DB01412
dcterms:title
Theobromine
adms:identifier
n10:28946 n11:5236 n12:Theobromine n13:5429 n14:46508574 n15:C07480 n16:PA451646 n18:DB01412
n3:mechanismOfAction
Theobromine stimulates medullary, vagal, vasomotor, and respiratory centers, promoting bradycardia, vasoconstriction, and increased respiratory rate. This action was previously believed to be due primarily to increased intracellular cyclic 3′,5′-adenosine monophosphate (cyclic AMP) following inhibition of phosphodiesterase, the enzyme that degrades cyclic AMP. It is now thought that xanthines such as caffeine and theobromine act as antagonist at adenosine-receptors within the plasma membrane of virtually every cell. As adenosine acts as an autocoid, inhibiting the release of neurotransmitters from presynaptic sites but augmenting the actions of norepinephrine or angiotensin, antagonism of adenosine receptors promotes neurotransmitter release. This explains the stimulatory effects of xanthine derivatives such as theobromine and caffeine. Blockade of the adenosine A1 receptor in the heart leads to the accelerated, pronounced "pounding" of the heart upon caffeine intake.
n3:synonym
3,7-dihydro-3,7-Dimethyl-1H-purine-2,6-dione Theobromin Theobromine 3,7-Dimethylpurine-2,6-dione 3,7-Dimethylxanthine
n5:hasAHFSCode
n17:92-02-00%2A
n3:synthesisReference
Misako Mizuno, Hiroshi Ashihara, Kouichi Mizuno, Tatsuhito Fujimura, "CAMELLIA SINENSIS GENE ENCODING A CAFFEINE SYNTHESIS ASSOCIATED N-METHYL TRANSFERASE WITH 7-METHYLXANTHINE N3 METHYL TRANSFERASE, THEOBROMINE N1 METHYL TRANSFERASE, AND PARAXANTHINE N3 METHYL TRANSFERASE ACTIVITIES AND USE THEREOF." U.S. Patent US06930227, issued August 16, 2005.
n3:IUPAC-Name
n4:271B47B4-363D-11E5-9242-09173F13E4C5
n3:InChI
n4:271B47BA-363D-11E5-9242-09173F13E4C5
n3:Molecular-Formula
n4:271B47B9-363D-11E5-9242-09173F13E4C5
n3:Molecular-Weight
n4:271B47B6-363D-11E5-9242-09173F13E4C5
n3:Monoisotopic-Weight
n4:271B47B7-363D-11E5-9242-09173F13E4C5
n3:SMILES
n4:271B47B8-363D-11E5-9242-09173F13E4C5
n3:Water-Solubility
n4:271B47CA-363D-11E5-9242-09173F13E4C5 n4:271B47B2-363D-11E5-9242-09173F13E4C5
n3:logP
n4:271B47B0-363D-11E5-9242-09173F13E4C5 n4:271B47B3-363D-11E5-9242-09173F13E4C5 n4:271B47CC-363D-11E5-9242-09173F13E4C5
n3:logS
n4:271B47B1-363D-11E5-9242-09173F13E4C5
n3:pKa
n4:271B47CD-363D-11E5-9242-09173F13E4C5
n5:hasATCCode
n6:R03DA07 n6:C03BD01
n3:H-Bond-Acceptor-Count
n4:271B47C0-363D-11E5-9242-09173F13E4C5
n3:H-Bond-Donor-Count
n4:271B47C1-363D-11E5-9242-09173F13E4C5
n3:InChIKey
n4:271B47BB-363D-11E5-9242-09173F13E4C5
n3:Polar-Surface-Area--PSA-
n4:271B47BC-363D-11E5-9242-09173F13E4C5
n3:Polarizability
n4:271B47BE-363D-11E5-9242-09173F13E4C5
n3:Refractivity
n4:271B47BD-363D-11E5-9242-09173F13E4C5
n3:Rotatable-Bond-Count
n4:271B47BF-363D-11E5-9242-09173F13E4C5
n3:casRegistryNumber
83-67-0
n3:Bioavailability
n4:271B47C6-363D-11E5-9242-09173F13E4C5
n3:Ghose-Filter
n4:271B47C8-363D-11E5-9242-09173F13E4C5
n3:MDDR-Like-Rule
n4:271B47C9-363D-11E5-9242-09173F13E4C5
n3:Melting-Point
n4:271B47CB-363D-11E5-9242-09173F13E4C5
n3:Number-of-Rings
n4:271B47C5-363D-11E5-9242-09173F13E4C5
n3:Physiological-Charge
n4:271B47C4-363D-11E5-9242-09173F13E4C5
n3:Rule-of-Five
n4:271B47C7-363D-11E5-9242-09173F13E4C5
n3:Traditional-IUPAC-Name
n4:271B47B5-363D-11E5-9242-09173F13E4C5
n3:pKa--strongest-acidic-
n4:271B47C2-363D-11E5-9242-09173F13E4C5
n3:pKa--strongest-basic-
n4:271B47C3-363D-11E5-9242-09173F13E4C5