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CHEBI:3613 - chlorflavonin

ChEBI IDCHEBI:3613
ChEBI Namechlorflavonin
Stars
DefinitionA dihydroxyflavone that is flavone substituted by a chloro group at position 3', hydroxy groups at positions 5 and 2' and methoxy groups at positions 3, 7 band 8 respectively.
Last Modified4 June 2015
DownloadsMolfile
FormulaC18H15ClO7
Net Charge0
Average Mass378.764
Monoisotopic Mass378.05063
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC
InChIInChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3
InChIKeyJLSQXYITDXJTKL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus candidus (ncbitaxon:41067) - PubMed (5391291)
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
chlorflavonin (CHEBI:3613) has role Aspergillus metabolite (CHEBI:76956)
chlorflavonin (CHEBI:3613) has role antifungal agent (CHEBI:35718)
chlorflavonin (CHEBI:3613) is a dihydroxyflavone (CHEBI:38686)
chlorflavonin (CHEBI:3613) is a monochlorobenzenes (CHEBI:83403)
chlorflavonin (CHEBI:3613) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one
Synonym  Source
3'-chloro-2',5-dihydroxy-3,7,8-trimethoxyflavoneChEBI
Manual XrefsDatabases
C10027KEGG COMPOUND
C00001026KNApSAcK
LMPK12113075LIPID MAPS
Registry NumbersSources
Reaxys:1300439Reaxys
CAS:23363-64-6KEGG COMPOUND
CAS:23363-64-6ChemIDplus
Citations