EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:66706 - 7-methoxypraecansone B

ChEBI IDCHEBI:66706
ChEBI Name7-methoxypraecansone B
Stars
DefinitionA member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 7 and a dimethylpyrano ring substituted across positions 3' and 4'. Isolated from Pongamia pinnata, it has been found to induce quinone reductase.
Last Modified8 April 2013
DownloadsMolfile
FormulaC23H24O5
Net Charge0
Average Mass380.440
Monoisotopic Mass380.16237
SMILESCO/C(=C\C(=O)c1c(OC)cc2c(c1OC)C=CC(C)(C)O2)c1ccccc1
InChIInChI=1S/C23H24O5/c1-23(2)12-11-16-19(28-23)14-20(26-4)21(22(16)27-5)17(24)13-18(25-3)15-9-7-6-8-10-15/h6-14H,1-5H3/b18-13-
InChIKeyKLIBVTLWIJEYNK-AQTBWJFISA-N
Species of MetaboliteComponentSourceComments
Pongamia pinnata (ncbitaxon:56065) stem (BTO:0001300) PubMed (14510596) Previous component: stem bark;
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)
7-methoxypraecansone B (CHEBI:66706) has role metabolite (CHEBI:25212)
7-methoxypraecansone B (CHEBI:66706) is a chalcones (CHEBI:23086)
7-methoxypraecansone B (CHEBI:66706) is a enol ether (CHEBI:47985)
IUPAC Name 
(2Z)-1-(5,7-dimethoxy-2,2-dimethyl-2H-chromen-6-yl)-3-methoxy-3-phenylprop-2-en-1-one
Synonym  Source
7,2',6'-trimethoxy-6'',6''-dimethylpyrano-(3',4':2'',3'')-chalconeChEBI
Manual XrefsDatabases
LMPK12120394LIPID MAPS
Registry NumbersSources
Reaxys:5139778Reaxys
Citations