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7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.

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03. Biological Effects of Specific Chemicals: pharmacological uses [CHEBI:52210] > antagonist [CHEBI:48706] > hormone antagonist [CHEBI:49020] > prostaglandin antagonist [CHEBI:49023]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 pharmacological uses [CHEBI:52210] (736) 
 antagonist [CHEBI:48706] (126) 
 hormone antagonist [CHEBI:49020] (52) 
 prostaglandin antagonist [CHEBI:49023] (5) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 antineoplastic agent [CHEBI:35610] (760) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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 officinarum (3)
07. Part of Biological Source of Chemical 
07. Part of Biological Source of Chemical
 plant structure [PO:0009011] (1497) 
 multi-tissue plant structure [PO:0025496] (1114) 
 plant organ [PO:0009008] (970) 
 plant axis [PO:0025004] (691) 
 root [PO:0009005] (486)
 shoot axis [PO:0025029] (271) 
 rhizome [PO:0004542] (88)
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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organooxygen compound [CHEBI:36963] (11352) 
 ether [CHEBI:25698] (876) 
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (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) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic aromatic compound [CHEBI:33659] (3593) 
 benzenoid aromatic compound [CHEBI:33836] (730) 
 benzenes [CHEBI:22712] (386) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 aromatic ether [CHEBI:35618] (353) 
 methoxybenzene [CHEBI:51683] (61) 
 monomethoxybenzene [CHEBI:25235] (32) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 ketone [CHEBI:17087] (1288) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 hydroxides [CHEBI:24651] (5641) 
 organic hydroxy compound [CHEBI:33822] (3050) 
 phenols [CHEBI:33853] (868) 
 7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone [CHEBI:66032] (1)
ChEBI Compound Accession Identifier:   [CHEBI:66032]
ChEBI Compound Description:   A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 7, a methoxy group at position 5 and a phenyl group at position 1. Isolated from Alpinia officinarum, it exhibits antineoplastic and inhibitory activity against prostaglandin biosynthesis.
ChEBI Compound Identification Number:   66032
ChEBI InChI Value:   InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3/t19-/m1/s1
ChEBI InChIKey Value:   XYIISUAVSYEQLI-LJQANCHMSA-N
ChEBI Compound Name:   7-(4''-hydroxy-3''-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
ChEBI SMILES Value:   CO[C@H](CCc1ccc(O)c(OC)c1)CC(=O)CCc1ccccc1
ChEBI Substance ID:   160710174
ChEBI URL:   ChEBI:66032
ChemSpider ID:   28533010
Ontomatica Chemical Accession Key (OnChAKey):   XYIISUAVSYEQLI_LJQANCHMSA_N_000_000000
PubChem Compound ID:   26088037