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CHEBI:78696 - cercosporamide

Default Structure
ChEBI IDCHEBI:78696
ChEBI Namecercosporamide
Stars
DefinitionA member of the class of dibenzofurans that is a potent broad spectrum antifungal agent isolated from the fungus Cercosporidium henningsii.
Last Modified4 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H13NO7
Net Charge0
Average Mass331.280
Monoisotopic Mass331.06920
SMILESCC(=O)C1=C(O)C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O
InChIInChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1
InChIKeyGEWLYFZWVLXQME-MRXNPFEDSA-N
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
phytotoxin  Any toxin produced by a plant.
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
cercosporamide (CHEBI:78696) has role antifungal agent (CHEBI:35718)
cercosporamide (CHEBI:78696) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
cercosporamide (CHEBI:78696) has role fungal metabolite (CHEBI:76946)
cercosporamide (CHEBI:78696) has role phytotoxin (CHEBI:38231)
cercosporamide (CHEBI:78696) is a dibenzofurans (CHEBI:38922)
cercosporamide (CHEBI:78696) is a methyl ketone (CHEBI:51867)
cercosporamide (CHEBI:78696) is a monocarboxylic acid amide (CHEBI:29347)
cercosporamide (CHEBI:78696) is a polyphenol (CHEBI:26195)
IUPAC Name 
(9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Manual XrefsDatabases
CN101292039Patent
EP1914313Patent
JP2008214336Patent
KR20080033345Patent
US2010152467Patent
WO2007018194Patent
Registry NumbersSources
Reaxys:5485233Reaxys
CAS:131436-22-1ChemIDplus
Citations