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CHEBI:65453 - asphodelin A

ChEBI IDCHEBI:65453
ChEBI Nameasphodelin A
Stars
DefinitionA hydroxycoumarin that is 4,7-dihydroxy-2H-chromen-2-one substituted by a 2,4-dihydroxyphenyl group at position 3. It is isolated from the roots of Asphodelus microcarpus and exhibits antimicrobial activity against bacteria like Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa and fungal microorganisms like Candida albicans and Botrytis cinerea.
Last Modified26 November 2012
DownloadsMolfile
FormulaC15H10O6
Net Charge0
Average Mass286.239
Monoisotopic Mass286.04774
SMILESO=c1oc2cc(O)ccc2c(O)c1-c1ccc(O)cc1O
InChIInChI=1S/C15H10O6/c16-7-1-3-9(11(18)5-7)13-14(19)10-4-2-8(17)6-12(10)21-15(13)20/h1-6,16-19H
InChIKeyOZOZCKVLUMXFGS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Asphodelus microcarpus (IPNI:531525-1)
root (BTO:0001188) PubMed (17253862)
bulb (BTO:0000159) PubMed (17253862)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
asphodelin A (CHEBI:65453) has role antibacterial agent (CHEBI:33282)
asphodelin A (CHEBI:65453) has role antifungal agent (CHEBI:35718)
asphodelin A (CHEBI:65453) has role metabolite (CHEBI:25212)
asphodelin A (CHEBI:65453) is a hydroxycoumarin (CHEBI:37912)
asphodelin A (CHEBI:65453) is a polyphenol (CHEBI:26195)
Incoming Relation(s)
asphodelin A-4'-O-β-glucoside (CHEBI:65454) has functional parent asphodelin A (CHEBI:65453)
IUPAC Name 
3-(2,4-dihydroxyphenyl)-4,7-dihydroxy-2H-chromen-2-one
Synonym  Source
3-(2',4'-dihydroxyphenyl)-4,7-dihydroxy-2H-1-benzopyran-2-oneChEBI
Registry NumbersSources
Reaxys:11288782Reaxys
Citations