CHEBI:28106 - isobavachalcone

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ChEBI Name isobavachalcone
ChEBI ID CHEBI:28106
Definition A 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'.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5984, CHEBI:24881
Supplier Information
Download Molfile XML SDF
Formula C20H20O4
Net Charge 0
Average Mass 324.37040
Monoisotopic Mass 324.13616
InChI InChI=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+
InChIKey DUWPGRAKHMEPCM-IZZDOVSWSA-N
SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Roles Classification
Biological Role(s): 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(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2',4,4'-trihydroxy-3'-(3-methyl-2-butenyl)chalcone ChEBI
Isobavachalcone KEGG COMPOUND
Manual Xrefs Databases
C00002381 KNApSAcK
C08648 KEGG COMPOUND
LMPK12120039 LIPID MAPS
View more database links
Registry Numbers Types Sources
2004917 Reaxys Registry Number Reaxys
20784-50-3 CAS Registry Number KEGG COMPOUND
20784-50-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17069433 PubMed citation Europe PMC
20160051 PubMed citation Europe PMC
20622433 PubMed citation Europe PMC
22772918 PubMed citation Europe PMC
23164691 PubMed citation Europe PMC
8759164 PubMed citation Europe PMC
Last Modified
28 July 2014