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CHEBI:28126 - 5,6,7-trimethoxycoumarin

ChEBI IDCHEBI:28126
ChEBI Name5,6,7-trimethoxycoumarin
Stars
DefinitionA member of the class of coumarins that is coumarin substituted by methoxy groups at positions 5, 6 and 7.
Secondary ChEBI IDsCHEBI:1993, CHEBI:20508
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H12O5
Net Charge0
Average Mass236.223
Monoisotopic Mass236.06847
SMILESCOc1cc2oc(=O)ccc2c(OC)c1OC
InChIInChI=1S/C12H12O5/c1-14-9-6-8-7(4-5-10(13)17-8)11(15-2)12(9)16-3/h4-6H,1-3H3
InChIKeyFOBNRKTURPWTQX-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5,6,7-trimethoxycoumarin (CHEBI:28126) has functional parent coumarin (CHEBI:28794)
5,6,7-trimethoxycoumarin (CHEBI:28126) has role antibacterial agent (CHEBI:33282)
5,6,7-trimethoxycoumarin (CHEBI:28126) has role metabolite (CHEBI:25212)
5,6,7-trimethoxycoumarin (CHEBI:28126) is a aromatic ether (CHEBI:35618)
5,6,7-trimethoxycoumarin (CHEBI:28126) is a coumarins (CHEBI:23403)
IUPAC Name 
5,6,7-trimethoxy-2H-chromen-2-one
Synonyms  Source
5,6,7-TrimethoxycoumarinKEGG COMPOUND
fraxinol methyl etherChEBI
5,6,7-trimethoxy-2H-1-benzopyran-2-oneChEBI
Manual XrefsDatabases
C09313KEGG COMPOUND
C00002501KNApSAcK
Registry NumbersSources
Reaxys:240375Reaxys
CAS:55085-47-7KEGG COMPOUND
CAS:55085-47-7ChemIDplus
Citations