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CHEBI:4316 - danielone

Default Structure
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:
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.
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)
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
2,4'-dihydroxy-3',5'-dimethoxyacetophenoneChEBI
3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenoneChEBI
Manual XrefsDatabases
C00002692KNApSAcK
C10674KEGG COMPOUND
DanieloneWikipedia
HMDB0031704HMDB
Registry NumbersSources
Reaxys:3096770Reaxys
CAS:90426-22-5ChemIDplus
CAS:90426-22-5KEGG COMPOUND
Citations