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CHEBI:65606 - celebixanthone

Default Structure
ChEBI IDCHEBI:65606
ChEBI Namecelebixanthone
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 3, 4 and 8, a methoxy group at position 2 and a prenyl group at position 1. Isolated from Cratoxylum celebicum and the roots of Cratoxylum cochinchinense, it exhibits cytotoxic and antimalarial activities.
Last Modified10 December 2012
DownloadsMolfile
FormulaC19H18O6
Net Charge0
Average Mass342.347
Monoisotopic Mass342.11034
SMILESCOc1c(O)c(O)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C
InChIInChI=1S/C19H18O6/c1-9(2)7-8-10-13-15(21)14-11(20)5-4-6-12(14)25-19(13)17(23)16(22)18(10)24-3/h4-7,20,22-23H,8H2,1-3H3
InChIKeyOQPZXQVAOOHEFP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cratoxylum celebicum (IPNI:433052-1) - DOI (10.1016/S0040-4020(01)98552-7)
Cratoxylum cochinchinense (ncbitaxon:271749) root (BTO:0001188) PubMed (16651783)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
ChEBI Ontology
Outgoing Relation(s)
celebixanthone (CHEBI:65606) has role antimalarial (CHEBI:38068)
celebixanthone (CHEBI:65606) has role antineoplastic agent (CHEBI:35610)
celebixanthone (CHEBI:65606) has role metabolite (CHEBI:25212)
celebixanthone (CHEBI:65606) is a aromatic ether (CHEBI:35618)
celebixanthone (CHEBI:65606) is a polyphenol (CHEBI:26195)
celebixanthone (CHEBI:65606) is a xanthones (CHEBI:51149)
Incoming Relation(s)
5-O-methylcelebixanthone (CHEBI:65607) has functional parent celebixanthone (CHEBI:65606)
IUPAC Name 
3,4,8-trihydroxy-2-methoxy-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Registry NumbersSources
Reaxys:1298314Reaxys
Citations