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CHEBI:4316 - danielone

ChEBI IDCHEBI:4316
ChEBI Namedanielone
Stars
DefinitionAn aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and exhibits antifungal activity.
Last Modified6 February 2018
DownloadsMolfile
FormulaC10H12O5
Net Charge0
Average Mass212.201
Monoisotopic Mass212.06847
SMILESCOc1cc(C(=O)CO)cc(OC)c1O
InChIInChI=1S/C10H12O5/c1-14-8-3-6(7(12)5-11)4-9(15-2)10(8)13/h3-4,11,13H,5H2,1-2H3
InChIKeyZTBAPEIDNUHRNC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
danielone (CHEBI:4316) has role antifungal agent (CHEBI:35718)
danielone (CHEBI:4316) has role phytoalexin (CHEBI:26115)
danielone (CHEBI:4316) has role plant metabolite (CHEBI:76924)
danielone (CHEBI:4316) is a aromatic ketone (CHEBI:76224)
danielone (CHEBI:4316) is a dimethoxybenzene (CHEBI:51681)
danielone (CHEBI:4316) is a phenols (CHEBI:33853)
danielone (CHEBI:4316) is a primary alcohol (CHEBI:15734)
danielone (CHEBI:4316) is a primary α-hydroxy ketone (CHEBI:139590)
IUPAC Name 
2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Synonyms  Source
3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenoneChEBI
2,4'-dihydroxy-3',5'-dimethoxyacetophenoneChEBI
Manual XrefsDatabases
C10674KEGG COMPOUND
HMDB0031704HMDB
DanieloneWikipedia
C00002692KNApSAcK
Registry NumbersSources
Reaxys:3096770Reaxys
CAS:90426-22-5KEGG COMPOUND
CAS:90426-22-5ChemIDplus
Citations