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CHEBI:66056 - hyperixanthone A

ChEBI IDCHEBI:66056
ChEBI Namehyperixanthone A
Stars
DefinitionA member of the class of xanthones that is 1H-xanthene-2,9-dione substituted by hydroxy groups at positions 3, 6 and 8, a 2-methylbut-3-en-2-yl group at position 5 and two prenyl groups at position 1. IT has been isolated from Hypericum erectum and Hypericum sampsonii.
Last Modified3 October 2014
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILESC=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(oc12)C=C(O)C(=O)C3(CC=C(C)C)CC=C(C)C
InChIInChI=1S/C28H32O6/c1-8-27(6,7)22-18(30)13-17(29)21-24(32)23-20(34-25(21)22)14-19(31)26(33)28(23,11-9-15(2)3)12-10-16(4)5/h8-10,13-14,29-31H,1,11-12H2,2-7H3
InChIKeyPJKSIBQLLLINDT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Hypericum erectum (ncbitaxon:282539) - Article (CHIN CHEM LETT, 2002, 13, 7, 623)
Hypericum sampsonii (ncbitaxon:282553) root (BTO:0001188) DOI (10.1080/13880200701739405)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
hyperixanthone A (CHEBI:66056) has role plant metabolite (CHEBI:76924)
hyperixanthone A (CHEBI:66056) is a polyphenol (CHEBI:26195)
hyperixanthone A (CHEBI:66056) is a xanthones (CHEBI:51149)
IUPAC Name 
3,6,8-trihydroxy-5-(2-methylbut-3-en-2-yl)-1,1-bis(3-methylbut-2-en-1-yl)-1H-xanthene-2,9-dione
Synonym  Source
1,2-dihydro-3,6,8-trihydroxy-1,1-bis(3-methyl-but-2-enyl)-5-(1,1-dimethyl-prop-2-enyl)-xanthen-2,9-dioneChEBI