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CHEBI:65613 - chaetoxanthone C

ChEBI IDCHEBI:65613
ChEBI Namechaetoxanthone C
Stars
DefinitionA member of the class xanthones that is 9H-xanthen-9-one substituted by a chloro group at position 4, hydroxy groups at positions 1 and 3, a methoxy group at position 8 and a (2R,6R)-6-methyltetrahydropyran-2-yl group at position 2. It is isolated from the marine derived fungus Chaetomium and has antiprotozoal activity.
Last Modified5 September 2012
DownloadsMolfile
FormulaC20H19ClO6
Net Charge0
Average Mass390.819
Monoisotopic Mass390.08702
SMILESCOc1cccc2oc3c(Cl)c(O)c([C@H]4CCC[C@@H](C)O4)c(O)c3c(=O)c12
InChIInChI=1S/C20H19ClO6/c1-9-5-3-7-12(26-9)14-18(23)15-17(22)13-10(25-2)6-4-8-11(13)27-20(15)16(21)19(14)24/h4,6,8-9,12,23-24H,3,5,7H2,1-2H3/t9-,12-/m1/s1
InChIKeyMWYMVCYBLZZWPG-BXKDBHETSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (18683985)
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.
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
Application:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
chaetoxanthone C (CHEBI:65613) has role antiprotozoal drug (CHEBI:35820)
chaetoxanthone C (CHEBI:65613) has role metabolite (CHEBI:25212)
chaetoxanthone C (CHEBI:65613) is a organochlorine compound (CHEBI:36683)
chaetoxanthone C (CHEBI:65613) is a phenols (CHEBI:33853)
chaetoxanthone C (CHEBI:65613) is a pyrans (CHEBI:26407)
chaetoxanthone C (CHEBI:65613) is a xanthones (CHEBI:51149)
IUPAC Name 
4-chloro-1,3-dihydroxy-8-methoxy-2-[(2R,6R)-6-methyltetrahydro-2H-pyran-2-yl]-9H-xanthen-9-one
Registry NumbersSources
Reaxys:19305738Reaxys
Citations