EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:35047 - xanthomicrol

ChEBI IDCHEBI:35047
ChEBI Namexanthomicrol
Stars
DefinitionA trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 8 and hydroxy groups at positions 5 and 4'.
Last Modified16 October 2014
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1c(OC)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC
InChIInChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
InChIKeySAMBWAJRKKEEOR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dracocephalum kotschyi (ncbitaxon:180015) leaf (BTO:0000713) PubMed (15949825)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
xanthomicrol (CHEBI:35047) has functional parent flavone (CHEBI:42491)
xanthomicrol (CHEBI:35047) has role antineoplastic agent (CHEBI:35610)
xanthomicrol (CHEBI:35047) has role plant metabolite (CHEBI:76924)
xanthomicrol (CHEBI:35047) is a dihydroxyflavone (CHEBI:38686)
xanthomicrol (CHEBI:35047) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-4H-chromen-4-one
Synonym  Source
4',5-dihydroxy-6,7,8-trimethoxyflavoneKEGG COMPOUND
Manual XrefsDatabases
C14476KEGG COMPOUND
C00003879KNApSAcK
LMPK12111447LIPID MAPS
HMDB0037600HMDB
Registry NumbersSources
Reaxys:344488Reaxys
CAS:16545-23-6KEGG COMPOUND
CAS:16545-23-6ChemIDplus
Citations