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tolcapone
Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > catechol O-methyltransferase inhibitor [CHEBI:48406] > tolcapone [CHEBI:63630]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 enzyme inhibitor [CHEBI:23924] (825) 
 catechol O-methyltransferase inhibitor [CHEBI:48406] (2) 
 tolcapone [CHEBI:63630] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antidyskinesia agent [CHEBI:66956] (43) 
 antiparkinson drug [CHEBI:48407] (41) 
 tolcapone [CHEBI:63630] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 benzophenones [CHEBI:22726] (17) 
 tolcapone [CHEBI:63630] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 benzophenones [CHEBI:22726] (17) 
 tolcapone [CHEBI:63630] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 benzophenones [CHEBI:22726] (17) 
 tolcapone [CHEBI:63630] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 benzophenones [CHEBI:22726] (17) 
 tolcapone [CHEBI:63630] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 benzophenones [CHEBI:22726] (17) 
 tolcapone [CHEBI:63630] (1)
ChEBI Compound Accession Identifier  [CHEBI:63630]
ChEBI Compound Description  Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.
ChEBI Compound Identification Number  63630
ChEBI InChI Value  InChI=1S/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3
ChEBI InChIKey Value  MIQPIUSUKVNLNT-UHFFFAOYSA-N
ChEBI Compound Name  tolcapone
ChEBI SMILES Value  Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
ChEBI Substance ID  135610139
ChEBI URL  ChEBI:63630
ChemSpider ID  3848682
Ontomatica Chemical Accession Key (OnChAKey)  MIQPIUSUKVNLNT_UHFFFAOYSA_N_000_000000
PubChem Compound ID  4659569