(1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (CHEBI:176637)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

ChEBI ID	CHEBI:176637

ChEBI ASCII Name	(1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H20O5

Net Charge

Average Mass

352.386

Monoisotopic Mass

352.13107

InChI

InChI=1S/C21H20O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h3-14,23-24H,1-2H3/b5-3+,6-4+,10-7+

InChIKey

JUDCTVXWYFNGQQ-FQXJPFFWSA-N

SMILES

O(C=1C=C(C=CC1O)/C=C/C(=O)\C=C\C=C\C2=CC(OC)=C(O)C=C2)C

Metabolite of Species	Details
reference compound	Found in pure substance (CHEBI:60003). of strain [] See: MetaboLights Study
Curcuma aromatica (NCBI:txid136209)	Found in rhizome (BTO:0001181). of strain [] See: MetaboLights Study
Curcuma longa (NCBI:txid136217)	Found in rhizome (BTO:0001181). of strain [] See: MetaboLights Study

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	(1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (CHEBI:176637) is a diarylheptanoid (CHEBI:78802)

IUPAC Name

(1E,4E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

Last Modified

06 August 2021