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CHEBI:66058 - hyperxanthone E

ChEBI IDCHEBI:66058
ChEBI Namehyperxanthone E
Stars
DefinitionA pyranoxanthene that is 2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one substituted by hydroxy groups at positions 5, 9 and 11 and geminal methyl groups at position 3. Isolated from the aerial parts of Hypericum scabrum, it exhibits cytotoxicity for human tumour cells.
Last Modified27 February 2013
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCC1(C)CCc2c(c(O)cc3oc4cc(O)cc(O)c4c(=O)c23)O1
InChIInChI=1S/C18H16O6/c1-18(2)4-3-9-14-13(7-11(21)17(9)24-18)23-12-6-8(19)5-10(20)15(12)16(14)22/h5-7,19-21H,3-4H2,1-2H3
InChIKeyJXBWMJZDYVJVIV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum scabrum (IPNI:433837-1) - PubMed (15568778)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
hyperxanthone E (CHEBI:66058) has role antineoplastic agent (CHEBI:35610)
hyperxanthone E (CHEBI:66058) has role metabolite (CHEBI:25212)
hyperxanthone E (CHEBI:66058) is a cyclic ketone (CHEBI:3992)
hyperxanthone E (CHEBI:66058) is a polyphenol (CHEBI:26195)
hyperxanthone E (CHEBI:66058) is a pyranoxanthene (CHEBI:64515)
IUPAC Name 
5,9,11-trihydroxy-3,3-dimethyl-2,3-dihydropyrano[3,2-a]xanthen-12(1H)-one
Registry NumbersSources
Reaxys:1355152Reaxys
Citations