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CHEBI:28106 - isobavachalcone

ChEBI IDCHEBI:28106
ChEBI Nameisobavachalcone
Stars
DefinitionA member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'.
Secondary ChEBI IDsCHEBI:5984, CHEBI:24881
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESCC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O
InChIInChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+
InChIKeyDUWPGRAKHMEPCM-IZZDOVSWSA-N
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
isobavachalcone (CHEBI:28106) has functional parent trans-chalcone (CHEBI:48965)
isobavachalcone (CHEBI:28106) has role antibacterial agent (CHEBI:33282)
isobavachalcone (CHEBI:28106) has role metabolite (CHEBI:25212)
isobavachalcone (CHEBI:28106) has role platelet aggregation inhibitor (CHEBI:50427)
isobavachalcone (CHEBI:28106) is a chalcones (CHEBI:23086)
isobavachalcone (CHEBI:28106) is a polyphenol (CHEBI:26195)
IUPAC Name 
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Synonyms  Source
IsobavachalconeKEGG COMPOUND
2',4,4'-trihydroxy-3'-(3-methyl-2-butenyl)chalconeChEBI
Manual XrefsDatabases
C08648KEGG COMPOUND
LMPK12120039LIPID MAPS
C00002381KNApSAcK
Registry NumbersSources
Reaxys:2004917Reaxys
CAS:20784-50-3KEGG COMPOUND
CAS:20784-50-3ChemIDplus
Citations