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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals biochemical uses [CHEBI:52206] (3306) enzyme inhibitor [CHEBI:23924] (825) monoamine oxidase inhibitor [CHEBI:38623] (10) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) pharmacological uses [CHEBI:52210] (736) antagonist [CHEBI:48706] (126) adenosine receptor antagonist [CHEBI:71232] (8) adenosine A2A receptor antagonist [CHEBI:53121] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) p-block molecular entity [CHEBI:33675] (25343) pnictogen molecular entity [CHEBI:33302] (10027) nitrogen molecular entity [CHEBI:51143] (7930) organonitrogen compound [CHEBI:35352] (6705) alkaloid [CHEBI:22315] (473) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) carbon group molecular entity [CHEBI:33582] (23847) organic molecular entity [CHEBI:50860] (23769) heteroorganic entity [CHEBI:33285] (15197) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen compound [CHEBI:35352] (6705) alkaloid [CHEBI:22315] (473) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) polyatomic entity [CHEBI:36357] (18777) molecule [CHEBI:25367] (11520) cyclic compound [CHEBI:33595] (7817) polycyclic compound [CHEBI:33635] (4078) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) bicyclic compound [CHEBI:33636] (1511) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) aromatic compound [CHEBI:33655] (3799) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) heterocyclic compound [CHEBI:5686] (5275) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) heteropolycyclic compound [CHEBI:33671] (2613) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) heterobicyclic compound [CHEBI:33672] (1315) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic molecule [CHEBI:72695] (11399) organic cyclic compound [CHEBI:33832] (7633) organic heterocyclic compound [CHEBI:24532] (5243) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organonitrogen heterocyclic compound [CHEBI:38101] (3202) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic heteropolycyclic compound [CHEBI:38166] (2613) organic heterobicyclic compound [CHEBI:27171] (1315) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) organic aromatic compound [CHEBI:33659] (3593) heteroarene [CHEBI:33833] (1648) imidazopyrimidine [CHEBI:35875] (321) purines [CHEBI:26401] (320) purine alkaloid [CHEBI:26385] (9) methylxanthine [CHEBI:25348] (7) trimethylxanthine [CHEBI:27134] (2) 8-(3-chlorostyryl)caffeine [CHEBI:53115] (1) ChEBI Compound Accession Identifier: [CHEBI:53115] ChEBI Compound Description: Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. ChEBI Compound Identification Number: 53115 ChEBI InChI Value: InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+ ChEBI InChIKey Value: WBWFIUAVMCNYPG-BQYQJAHWSA-N ChEBI Compound Name: 8-(3-chlorostyryl)caffeine ChEBI SMILES Value: Cn1c(\C=C\c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12 ChEBI Substance ID: 85240327 ChEBI URL: ChEBI:53115 ChemSpider ID: 4510063 Ontomatica Chemical Accession Key (OnChAKey): WBWFIUAVMCNYPG_BQYQJAHWSA_N_000_000000 PubChem Compound ID: 5353365