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CHEBI:28758 - 2',6'-dihydroxy-4'-methoxyacetophenone

ChEBI IDCHEBI:28758
ChEBI Name2',6'-dihydroxy-4'-methoxyacetophenone
Stars
DefinitionA member of the class of acetophenones that is 2',4',6'-trihydroxyacetophenone in which the hydroxy group at position 4' is replaced by a methoxy group.
Secondary ChEBI IDsCHEBI:831, CHEBI:19222
Last Modified14 September 2023
DownloadsMolfile
FormulaC9H10O4
Net Charge0
Average Mass182.175
Monoisotopic Mass182.05791
SMILESCOc1cc(O)c(C(C)=O)c(O)c1
InChIInChI=1S/C9H10O4/c1-5(10)9-7(11)3-6(13-2)4-8(9)12/h3-4,11-12H,1-2H3
InChIKeyGKSGTWUNURZTKD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sanguisorba minor (ncbitaxon:137456) Root (BTO:0001188) DOI (10.1016/S0031-9422(00)94758-7)
Roles Classification
Biological Roles:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
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)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has functional parent 2',4',6'-trihydroxyacetophenone (CHEBI:64344)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has role phytoalexin (CHEBI:26115)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) has role plant metabolite (CHEBI:76924)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a dihydroxyacetophenone (CHEBI:23776)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a monomethoxybenzene (CHEBI:25235)
2',6'-dihydroxy-4'-methoxyacetophenone (CHEBI:28758) is a resorcinols (CHEBI:33572)
IUPAC Name 
1-(2,6-dihydroxy-4-methoxyphenyl)ethanone
Synonyms  Source
2',6'-dihydroxy-4'-methoxyacetophenoneKEGG COMPOUND
4-O-methylphloracetophenoneNIST Chemistry WebBook
1-(2,6-dihydroxy-4-methoxyphenyl)ethan-1-oneIUPAC
2,6-dihydroxy-4-methoxyacetophenoneNIST Chemistry WebBook
2-acetyl-5-methoxyresorcinolChEBI
Manual XrefsDatabases
C10680KEGG COMPOUND
C00002694KNApSAcK
HMDB0029646HMDB
FDB000817FooDB
Registry NumbersSources
CAS:7507-89-3NIST Chemistry WebBook
Citations