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CHEBI:70702 - 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one

ChEBI IDCHEBI:70702
ChEBI Name1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one
Stars
ASCII Name1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one
DefinitionA diarylheptanoid that is 4E-6E-dien-3-one substituted by 4-hydroxyphenyl group at positions 1 and 7. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Last Modified26 March 2015
DownloadsMolfile
FormulaC19H18O3
Net Charge0
Average Mass294.350
Monoisotopic Mass294.12559
SMILESO=C(/C=C/C=C/c1ccc(O)cc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+
InChIKeyQIROPQQWKBMABC-ZPUQHVIOSA-N
Species of MetaboliteComponentSourceComments
Curcuma kwangsiensis (ncbitaxon:136216) rhizome (BTO:0001181) DOI (10.1021/np100392m) 70% ethanolic extract of rhizomes
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)hepta-4E-6E-dien-3-one (CHEBI:70702) has role plant metabolite (CHEBI:76924)
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one (CHEBI:70702) is a diarylheptanoid (CHEBI:78802)
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one (CHEBI:70702) is a enone (CHEBI:51689)
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one (CHEBI:70702) is a phenols (CHEBI:33853)
IUPAC Name 
(4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one
Registry NumbersSources
Reaxys:8783234Reaxys