danielone (CHEBI:4316)

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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

Average Mass

212.19930

Monoisotopic Mass

212.06847

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.

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)

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

Citation	Type	Source
9004541	PubMed citation	Europe PMC

Last Modified

06 February 2018