CHEBI:4316 - danielone

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ChEBI Name danielone
ChEBI ID CHEBI:4316
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H12O5
Net Charge 0
Average Mass 212.19930
InChI InChI=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
InChIKey ZTBAPEIDNUHRNC-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1O)C(=O)CO
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.
phytoalexin
A toxin made by a plant that acts against an organism attacking it.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. Antifungal agents differ from industrial fungicides in that they defend against fungi present in human or animal tissues.
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ChEBI Ontology
Outgoing 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)
IUPAC Name
2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Synonyms Sources
2,4'-dihydroxy-3',5'-dimethoxyacetophenone ChEBI
3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone ChEBI
Database Links Databases
C00002692 KNApSAcK
C10674 KEGG COMPOUND
Danielone Wikipedia
HMDB31704 HMDB
View more database links
Registry Numbers Types Sources
3096770 Reaxys Registry Number Reaxys
90426-22-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
9004541 PubMed citation CiteXplore
Last Modified
28 July 2014