1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol (CHEBI:70704)

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ChEBI Name	1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol

ChEBI ID	CHEBI:70704

ChEBI ASCII Name	1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol

Definition	A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma comosa.

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

Supplier Information

Download	Molfile XML SDF

Formula

C19H22O4

Net Charge

Average Mass

314.37560

Monoisotopic Mass

314.15181

InChI

InChI=1S/C19H22O4/c20-16(11-7-15-8-12-18(22)19(23)13-15)4-2-1-3-14-5-9-17(21)10-6-14/h1,3,5-6,8-10,12-13,16,20-23H,2,4,7,11H2/b3-1+

InChIKey

RECNHCLFPNYLCU-HNQUOIGGSA-N

SMILES

OC(CC\C=C\c1ccc(O)cc1)CCc1ccc(O)c(O)c1

Metabolite of Species	Details
Curcuma comosa (NCBI:txid199633)	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-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol (CHEBI:70704) has role plant metabolite (CHEBI:76924) 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol (CHEBI:70704) is a catechols (CHEBI:33566) 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol (CHEBI:70704) is a diarylheptanoid (CHEBI:78802) 1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol (CHEBI:70704) is a secondary alcohol (CHEBI:35681)

IUPAC Name

4-[(6E)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol

Registry Number	Type	Source
21038422	Reaxys Registry Number	Reaxys

Last Modified

26 March 2015