CHEBI:69355 - casticin

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ChEBI Name casticin
ChEBI ID CHEBI:69355
Definition A tetramethoxyflavone that consists of quercetagetin in which the hydroxy groups at positions 3, 6, 7 and 4' have been replaced by methoxy groups.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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H18O8
Net Charge 0
Average Mass 374.34140
Monoisotopic Mass 374.100
InChI InChI=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
InChIKey PJQLSMYMOKWUJG-UHFFFAOYSA-N
SMILES COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
Metabolite of Species Details
Eremophila mitchellii (IPNI:585196-1) Found in leaf (BTO:0000713). n-Hexane,Methylene dichloride and methanolic extarct of airdried and ground leaves See: PubMed
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
3',5-dihydroxy-3,4',6,7-tetramethoxyflavone ChemIDplus
3,6,7,4'-tetra-O-methyl-5,3'-dihydroxyflavone LIPID MAPS
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one ChemIDplus
quercetagetin 3,6,7,4'-tetramethyl ether LIPID MAPS
vitexicarpin ChemIDplus
Database Links Databases
Casticin Wikipedia
CN101028261 Patent
CN102743373 Patent
HMDB0030660 HMDB
LMPK12113010 LIPID MAPS
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Registry Numbers Types Sources
1300392 Reaxys Registry Number Reaxys
479-91-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21877688 PubMed citation Europe PMC
22407499 PubMed citation Europe PMC
23135489 PubMed citation Europe PMC
23464460 PubMed citation Europe PMC
23476684 PubMed citation Europe PMC
23761826 PubMed citation Europe PMC
23816816 PubMed citation Europe PMC
24126491 PubMed citation Europe PMC
24247269 PubMed citation Europe PMC
Last Modified
15 January 2014