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CHEBI:3327 - calophyllin B

ChEBI IDCHEBI:3327
ChEBI Namecalophyllin B
Stars
DefinitionA member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
Last Modified3 October 2014
DownloadsMolfile
FormulaC18H16O4
Net Charge0
Average Mass296.322
Monoisotopic Mass296.10486
SMILESCC(C)=CCc1ccc2c(=O)c3c(O)cccc3oc2c1O
InChIInChI=1S/C18H16O4/c1-10(2)6-7-11-8-9-12-17(21)15-13(19)4-3-5-14(15)22-18(12)16(11)20/h3-6,8-9,19-20H,7H2,1-2H3
InChIKeyAPHJPNXEBUUMKB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Calophyllum inophyllum (ncbitaxon:158927) - PubMed (15678383)
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)
calophyllin B (CHEBI:3327) has role plant metabolite (CHEBI:76924)
calophyllin B (CHEBI:3327) is a polyphenol (CHEBI:26195)
calophyllin B (CHEBI:3327) is a xanthones (CHEBI:51149)
IUPAC Name 
1,5-dihydroxy-6-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonyms  Source
6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthoneKEGG COMPOUND
guanandinChEBI
Manual XrefsDatabases
C10054KEGG COMPOUND
C00002944KNApSAcK
Registry NumbersSources
Reaxys:1292035Reaxys
CAS:17623-60-8KEGG COMPOUND
Citations