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CHEBI:6141 - knipholone

ChEBI IDCHEBI:6141
ChEBI Nameknipholone
Stars
DefinitionAn anthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 4 and 6, a methyl group at position 2 and a 3-acetyl-2,6-dihydroxy-4-methoxyphenyl group at position 1. It exhibits antioxidant, cytotoxic and antiplasmodial activities.
Last Modified14 July 2016
DownloadsMolfile
FormulaC24H18O8
Net Charge0
Average Mass434.400
Monoisotopic Mass434.10017
SMILESCOc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O
InChIInChI=1S/C24H18O8/c1-9-7-13(27)20-21(22(29)11-5-4-6-12(26)18(11)24(20)31)16(9)19-14(28)8-15(32-3)17(10(2)25)23(19)30/h4-8,26-28,30H,1-3H3
InChIKeyDUENHQWYLVQDQK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
leukotriene antagonist  A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
leukotriene antagonist  A drug designed to prevent leukotriene synthesis or activity by blocking binding at the receptor level.
antiplasmodial drug  An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
ChEBI Ontology
Outgoing Relation(s)
knipholone (CHEBI:6141) has role antineoplastic agent (CHEBI:35610)
knipholone (CHEBI:6141) has role antioxidant (CHEBI:22586)
knipholone (CHEBI:6141) has role antiplasmodial drug (CHEBI:64915)
knipholone (CHEBI:6141) has role leukotriene antagonist (CHEBI:49159)
knipholone (CHEBI:6141) has role metabolite (CHEBI:25212)
knipholone (CHEBI:6141) is a aromatic ketone (CHEBI:76224)
knipholone (CHEBI:6141) is a dihydroxyanthraquinone (CHEBI:37484)
knipholone (CHEBI:6141) is a methoxybenzenes (CHEBI:51683)
knipholone (CHEBI:6141) is a methyl ketone (CHEBI:51867)
knipholone (CHEBI:6141) is a polyphenol (CHEBI:26195)
knipholone (CHEBI:6141) is a resorcinols (CHEBI:33572)
Incoming Relation(s)
4'-O-demethylknipholone-4'-O-β-D-glucopyranoside (CHEBI:65741) has functional parent knipholone (CHEBI:6141)
IUPAC Name 
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,6-dihydroxy-2-methylanthracene-9,10-dione
Synonym  Source
KnipholoneKEGG COMPOUND
Manual XrefsDatabases
C10365KEGG COMPOUND
C00002834KNApSAcK
Registry NumbersSources
Reaxys:6544704Reaxys
CAS:94450-08-5KEGG COMPOUND
Citations