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CHEBI:70007 - pachypodol

ChEBI IDCHEBI:70007
ChEBI Namepachypodol
Stars
DefinitionA trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from Combretum quadrangulare and Euodia elleryana.
Secondary ChEBI IDCHEBI:7885
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(OC)c3)oc2c1
InChIInChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-11(19)13(6-9)23-2/h4-8,19-20H,1-3H3
InChIKeyKQFUXLQBMQGNRT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Combretum quadrangulare (IPNI:170410-1) leaf (BTO:0000713) PubMed (21265555) Methanolic extract of leaves
Euodia elleryana (IPNI:772987-1) - PubMed (21275386) MeOH-CH2Cl2(1:1)extract of dried, ground plant material,synonym Euodia is captured instead of Evodia
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:
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
ChEBI Ontology
Outgoing Relation(s)
pachypodol (CHEBI:70007) has functional parent quercetin (CHEBI:16243)
pachypodol (CHEBI:70007) has role antiemetic (CHEBI:50919)
pachypodol (CHEBI:70007) has role plant metabolite (CHEBI:76924)
pachypodol (CHEBI:70007) is a dihydroxyflavone (CHEBI:38686)
pachypodol (CHEBI:70007) is a trimethoxyflavone (CHEBI:27124)
IUPAC Name 
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one
Synonyms  Source
Quercetin 3,7,3'-trimethyl etherKEGG COMPOUND
5,4'-dihydroxy-3,7,3'-trimethoxyflavoneChEBI
5,4'-dihydroxy-3,7,3'-quercetol trimethyl etherChemIDplus
Manual XrefsDatabases
C10117KEGG COMPOUND
LMPK12112754LIPID MAPS
PachypodolWikipedia
C00004646KNApSAcK
Registry NumbersSources
Reaxys:344651Reaxys
CAS:33708-72-4KEGG COMPOUND
CAS:33708-72-4ChemIDplus
Citations