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CHEBI:70700 - 1,7-bis(4-hydroxyphenyl)-3-heptanone

ChEBI IDCHEBI:70700
ChEBI Name1,7-bis(4-hydroxyphenyl)-3-heptanone
Stars
DefinitionA diarylheptanoid that is 3-heptanone substituted by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
Last Modified26 March 2015
DownloadsMolfile
FormulaC19H22O3
Net Charge0
Average Mass298.382
Monoisotopic Mass298.15689
SMILESO=C(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1
InChIInChI=1S/C19H22O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h5-6,8-9,11-14,21-22H,1-4,7,10H2
InChIKeyQUHYUSAHBDACNG-UHFFFAOYSA-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)-3-heptanone (CHEBI:70700) has role plant metabolite (CHEBI:76924)
1,7-bis(4-hydroxyphenyl)-3-heptanone (CHEBI:70700) is a diarylheptanoid (CHEBI:78802)
1,7-bis(4-hydroxyphenyl)-3-heptanone (CHEBI:70700) is a ketone (CHEBI:17087)
1,7-bis(4-hydroxyphenyl)-3-heptanone (CHEBI:70700) is a phenols (CHEBI:33853)
IUPAC Name 
1,7-bis(4-hydroxyphenyl)heptan-3-one
Registry NumbersSources
Reaxys:4195253Reaxys