CHEBI:66058 - hyperxanthone E

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ChEBI Name hyperxanthone E
ChEBI ID CHEBI:66058
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H16O6
Net Charge 0
Average Mass 328.31600
Monoisotopic Mass 328.09469
InChI InChI=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
InChIKey JXBWMJZDYVJVIV-UHFFFAOYSA-N
SMILES CC1(C)CCc2c(O1)c(O)cc1oc3cc(O)cc(O)c3c(=O)c21
Metabolite of Species Details
Hypericum scabrum (IPNI:433837-1) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
1355152 Reaxys Registry Number Reaxys
Citation Waiting for Citations
Last Modified
27 February 2013