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CHEBI:65502 - 1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one

ChEBI IDCHEBI:65502
ChEBI Name1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one
Stars
DefinitionA diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.
Last Modified26 March 2015
DownloadsMolfile
FormulaC19H16O3
Net Charge0
Average Mass292.334
Monoisotopic Mass292.10994
SMILESO=C(/C=C/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1
InChIInChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7+
InChIKeyPALMCMYYFAHUGA-BPTNNVFMSA-N
Species of MetaboliteComponentSourceComments
Curcuma domestica (ncbitaxon:136217) rhizome (BTO:0001181) DOI (10.1016/0031-9422(93)85548-6) Fresh rhizome
Etlingera elatior (ncbitaxon:188493) rhizome (BTO:0001181) PubMed (15730265)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one (CHEBI:65502) has role plant metabolite (CHEBI:76924)
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one (CHEBI:65502) is a diarylheptanoid (CHEBI:78802)
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one (CHEBI:65502) is a enone (CHEBI:51689)
1,7-bis (4-hydroxyphenyl)-1,4,6-heptatrien-3-one (CHEBI:65502) is a phenols (CHEBI:33853)
IUPAC Name 
(1E,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Registry NumbersSources
Reaxys:6144614Reaxys
Citations