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1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase.

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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206] > enzyme inhibitor [CHEBI:23924] > cyclooxygenase inhibitor [CHEBI:35544] > cyclooxygenase 2 inhibitor [CHEBI:50629] > 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033]
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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) 
 cyclooxygenase inhibitor [CHEBI:35544] (58) 
 cyclooxygenase 2 inhibitor [CHEBI:50629] (37) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 cyclooxygenase 1 inhibitor [CHEBI:50630] (15) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 nitric oxide synthase inhibitor [CHEBI:61908] (36) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
06. Name of Biological Source of Chemical 
06. Name of Biological Source of Chemical
 Plantae (1926) 
 Magnoliophyta (1872) 
 Liliopsida (183) 
 Zingiberales (39) 
 Zingiberaceae (39) 
 Alpinia (18) 
 Alpinia oxyphylla (1)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 unspecified structure [PO:0000004] (703)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 s-block molecular entity [CHEBI:33674] (7287) 
 hydrogen molecular entity [CHEBI:33608] (6932) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (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) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 carbocyclic compound [CHEBI:33598] (1130) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 homocyclic compound [CHEBI:33597] (1134) 
 carbocyclic compound [CHEBI:33598] (1130) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 aromatic compound [CHEBI:33655] (3799) 
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 carbocyclic compound [CHEBI:33598] (1130) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 carbocyclic compound [CHEBI:33598] (1130) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone [CHEBI:66033] (1)
ChEBI Compound Accession Identifier:   [CHEBI:66033]
ChEBI Compound Description:   A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase.
ChEBI Compound Identification Number:   66033
ChEBI InChI Value:   InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
ChEBI InChIKey Value:   TXELARZTKDBEKS-UHFFFAOYSA-N
ChEBI Compound Name:   1-(4'-hydroxy-3'-methoxyphenyl)-7-phenyl-3-heptanone
ChEBI SMILES Value:   COc1cc(CCC(=O)CCCCc2ccccc2)ccc1O
ChEBI Substance ID:   160709906
ChEBI URL:   ChEBI:66033
ChemSpider ID:   117495
Ontomatica Chemical Accession Key (OnChAKey):   TXELARZTKDBEKS_UHFFFAOYSA_N_000_000000
PubChem Compound ID:   133145