EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68933 - (±)-chartaceone A

ChEBI IDCHEBI:68933
ChEBI Name(±)-chartaceone A
Stars
ASCII Name(+-)-chartaceone A
DefinitionA racemate composed of equimolar concentrations of chartaceone A1, A2, A3 and A4. It has been isolated from the barks of Cryptocarya chartacea.
Last Modified9 January 2014
DownloadsMolfile
FormulaC28H26O6
Net Charge0
Average Mass458.510
Monoisotopic Mass458.17294
SMILESO=C(O)CCCC(/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C28H26O6/c29-21-17-24-27(22(30)16-23(34-24)19-10-5-2-6-11-19)28(33)26(21)20(12-7-13-25(31)32)15-14-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,20,23,29,33H,7,12-13,16H2,(H,31,32)/b15-14+
InChIKeySBOVSSLXUHHHLZ-CCEZHUSRSA-N
Species of MetaboliteComponentSourceComments
Cryptocarya chartacea (IPNI:895985-1) trunk bark (BTO:0001494) PubMed (22050318) Ethyl acetate extract of air-dried and powdered trunk bark
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)
(±)-chartaceone A (CHEBI:68933) has part chartaceone A1 (CHEBI:76573)
(±)-chartaceone A (CHEBI:68933) has part chartaceone A2 (CHEBI:76574)
(±)-chartaceone A (CHEBI:68933) has part chartaceone A3 (CHEBI:76588)
(±)-chartaceone A (CHEBI:68933) has part chartaceone A4 (CHEBI:76589)
(±)-chartaceone A (CHEBI:68933) has role plant metabolite (CHEBI:76924)
(±)-chartaceone A (CHEBI:68933) is a racemate (CHEBI:60911)
IUPAC Name 
rac-(6E)-5-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl)-7-phenylhept-6-enoic acid
Registry NumbersSources
Reaxys:22123619Reaxys
Citations