CHEBI:66056 - hyperixanthone A

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ChEBI Name hyperixanthone A
ChEBI ID CHEBI:66056
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H32O6
Net Charge 0
Average Mass 464.55010
Monoisotopic Mass 464.21989
InChI InChI=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
InChIKey PJKSIBQLLLINDT-UHFFFAOYSA-N
SMILES CC(C)=CCC1(CC=C(C)C)C(=O)C(O)=Cc2oc3c(c(O)cc(O)c3c(=O)c12)C(C)(C)C=C
Metabolite of Species Details
Hypericum erectum (NCBI:txid282539) See: CHIN CHEM LETT, 2002, 13, 7, 623
Hypericum sampsonii (NCBI:txid282553) Found in root (BTO:0001188). See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-dione ChEBI
Last Modified
03 October 2014
General Comment
2012-07-27 CHIN CHEM LETT, 2002, 13, 7, 623