EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73782 - praecanson A

ChEBI IDCHEBI:73782
ChEBI Namepraecanson A
Stars
DefinitionA member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 9 and a dimethylpyrano ring substituted across positions 3' and 4'.
Last Modified16 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCO/C(=C\C(=O)c1ccccc1)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2
InChIInChI=1S/C23H24O5/c1-23(2)12-11-16-18(28-23)14-20(26-4)21(22(16)27-5)19(25-3)13-17(24)15-9-7-6-8-10-15/h6-14H,1-5H3/b19-13-
InChIKeyCDFJITYOZNLONM-UYRXBGFRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
praecanson A (CHEBI:73782) has role metabolite (CHEBI:25212)
praecanson A (CHEBI:73782) is a chalcones (CHEBI:23086)
praecanson A (CHEBI:73782) is a enol ether (CHEBI:47985)
IUPAC Name 
(2Z)-3-(5,7-dimethoxy-2,2-dimethyl-2H-chromen-6-yl)-3-methoxy-1-phenylprop-2-en-1-one
Synonym  Source
9,2',6'-trimethoxy-6'',6''-dimethylpyrano-(3',4':2'',3'')-chalconeChEBI
Manual XrefsDatabases
LMPK12120392LIPID MAPS
Registry NumbersSources
Reaxys:5140767Reaxys