CHEBI:176666 - 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-1,4,6-heptatriene-3-one

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ChEBI Name 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-1,4,6-heptatriene-3-one
ChEBI ID CHEBI:176666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000064512333
Download Molfile XML SDF
Formula C20H18O4
Net Charge 0
Average Mass 322.360
Monoisotopic Mass 322.12051
InChI InChI=1S/C20H18O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-14,22-23H,1H3/b10-7+,11-8+,18-14?
InChIKey KLIXPTUAOGHAPP-PNMUIFRVSA-N
SMILES O(C=1C=C(C=CC1O)/C=C/C(O)=CC(=O)\C=C\C2=CC=CC=C2)C
Metabolite of Species Details
Curcuma aromatica (NCBI:txid136209) Found in rhizome (BTO:0001181). See: MetaboLights Study
Curcuma longa (NCBI:txid136217) Found in rhizome (BTO:0001181). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-5-hydroxy-1,4,6-heptatriene-3-one (CHEBI:176666) is a diarylheptanoid (CHEBI:78802)
IUPAC Name
(1E,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhepta-1,4,6-trien-3-one