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

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ChEBI Name	1,7-bis(4-hydroxyphenyl)-3-heptanone

ChEBI ID	CHEBI:70700

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H22O3

Net Charge

Average Mass

298.37620

Monoisotopic Mass

298.15689

InChI

InChI=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

InChIKey

QUHYUSAHBDACNG-UHFFFAOYSA-N

SMILES

Oc1ccc(CCCCC(=O)CCc2ccc(O)cc2)cc1

Metabolite of Species	Details
Curcuma kwangsiensis (NCBI:txid136216)	Found in rhizome (BTO:0001181). 70% ethanolic extract of rhizomes See: DOI

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via diarylheptanoid )

ChEBI Ontology
Outgoing	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 Number	Type	Source
4195253	Reaxys Registry Number	Reaxys

Last Modified

26 March 2015