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CHEBI:69355 - casticin

ChEBI IDCHEBI:69355
ChEBI Namecasticin
Stars
DefinitionA tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups. It has been isolated from Eremophila mitchellii.
Last Modified15 January 2014
DownloadsMolfile
FormulaC19H18O8
Net Charge0
Average Mass374.345
Monoisotopic Mass374.10017
SMILESCOc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKeyPJQLSMYMOKWUJG-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Eremophila mitchellii (IPNI:585196-1) leaf (BTO:0000713) PubMed (21877688) n-Hexane,Methylene dichloride and methanolic extarct of airdried and ground leaves
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
casticin (CHEBI:69355) has functional parent quercetagetin (CHEBI:8695)
casticin (CHEBI:69355) has role apoptosis inducer (CHEBI:68495)
casticin (CHEBI:69355) has role plant metabolite (CHEBI:76924)
casticin (CHEBI:69355) is a dihydroxyflavone (CHEBI:38686)
casticin (CHEBI:69355) is a tetramethoxyflavone (CHEBI:76875)
IUPAC Name 
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-chromen-4-one
Synonyms  Source
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-oneChemIDplus
quercetagetin 3,6,7,4'-tetramethyl etherLIPID MAPS
vitexicarpinChemIDplus
3',5-dihydroxy-3,4',6,7-tetramethoxyflavoneChemIDplus
3,6,7,4'-tetra-O-methyl-5,3'-dihydroxyflavoneLIPID MAPS
Manual XrefsDatabases
CasticinWikipedia
HMDB0030660HMDB
CN102743373Patent
CN101028261Patent
LMPK12113010LIPID MAPS
Registry NumbersSources
Reaxys:1300392Reaxys
CAS:479-91-4ChemIDplus
Citations