EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2980 - 5,6,7-trimethoxyflavone

Default Structure
ChEBI IDCHEBI:2980
ChEBI Name5,6,7-trimethoxyflavone
Stars
DefinitionA trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity.
Last Modified11 November 2014
DownloadsMolfile
FormulaC18H16O5
Net Charge0
Average Mass312.321
Monoisotopic Mass312.09977
SMILESCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OC
InChIInChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyHJNJAUYFFFOFBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Callicarpa japonica (ncbitaxon:105891) - PubMed (9222055)
Roles Classification
Biological Roles:
anti-HSV-1 agent  An anti-HSV agent agent that destroys or inhibits the replication of herpes simplex virus-1.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
5,6,7-trimethoxyflavone (CHEBI:2980) has functional parent baicalein (CHEBI:2979)
5,6,7-trimethoxyflavone (CHEBI:2980) has role anti-HSV-1 agent (CHEBI:64953)
5,6,7-trimethoxyflavone (CHEBI:2980) has role plant metabolite (CHEBI:76924)
5,6,7-trimethoxyflavone (CHEBI:2980) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one
Synonym  Source
Baicalein 5,6,7-trimethyl etherKEGG COMPOUND
Manual XrefsDatabases
C00003808KNApSAcK
C10024KEGG COMPOUND
LMPK12111100LIPID MAPS
Registry NumbersSources
Reaxys:300583Reaxys
CAS:973-67-1KEGG COMPOUND
Citations