Preferred Name |
xanthohumol |
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Synonyms |
C21H22O5 (2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one 2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone |
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ID |
http://purl.obolibrary.org/obo/CHEBI_66331 |
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Definition |
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. |
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has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_26619 http://purl.obolibrary.org/obo/CHEBI_68495 http://purl.obolibrary.org/obo/CHEBI_64947 |
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InChI |
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+ |
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InChIKey |
InChIKey=ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
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label |
xanthohumol |
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prefixIRI |
obo2:CHEBI_66331 |
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prefLabel |
xanthohumol |
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SMILES |
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\\C=C\\c1ccc(O)cc1 |
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Synonym |
C21H22O5 (2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one 2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone |
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xref |
CiteXplore:22111577 CiteXplore:15679315 Patent:WO2009126320 CASRN:6754-58-1 ChEMBL:521551 CiteXplore:15550272 CiteXplore:15723722 Patent:EP2579862 Reaxys:2226282 KEGG COMPOUND:C16417 MetaCyc:CPD-7119 CiteXplore:14670594 LIPID MAPS:LMPK12120294 HMDB:HMDB37479 CiteXplore:19634869 Wikipedia:Xanthohumol |
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subClassOf |