CHEBI:3613 - chlorflavonin

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ChEBI Name chlorflavonin
ChEBI ID CHEBI:3613
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000085560803
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Formula C18H15ClO7
Net Charge 0
Average Mass 378.76100
Monoisotopic Mass 378.05063
InChI InChI=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
InChIKey JLSQXYITDXJTKL-UHFFFAOYSA-N
SMILES COc1cc(O)c2c(oc(-c3cccc(Cl)c3O)c(OC)c2=O)c1OC
Metabolite of Species Details
Aspergillus candidus (NCBI:txid41067) See: PubMed
Roles Classification
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-trimethoxyflavone ChEBI
Manual Xrefs Databases
C00001026 KNApSAcK
C10027 KEGG COMPOUND
LMPK12113075 LIPID MAPS
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Registry Numbers Types Sources
1300439 Reaxys Registry Number Reaxys
23363-64-6 CAS Registry Number KEGG COMPOUND
23363-64-6 CAS Registry Number ChemIDplus
Citations Types Sources
4775434 PubMed citation Europe PMC
5391291 PubMed citation Europe PMC
5463573 PubMed citation Europe PMC
Last Modified
04 June 2015