CHEBI:4316 - danielone

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ChEBI Name danielone
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
Monoisotopic Mass 212.068
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
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.
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.
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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 α-hydroxy ketone (CHEBI:139590)
danielone (CHEBI:4316) is a primary alcohol (CHEBI:15734)
Synonyms Sources
2,4'-dihydroxy-3',5'-dimethoxyacetophenone ChEBI
3',5'-dimethoxy-4'-hydroxy-(2-hydroxy)acetophenone ChEBI
Manual Xrefs Databases
C00002692 KNApSAcK
Danielone Wikipedia
HMDB0031704 HMDB
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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 Europe PMC
Last Modified
06 February 2018