isobavachalcone (CHEBI:28106)

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CHEBI:28106 - isobavachalcone

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ChEBI ID	CHEBI:28106
ChEBI Name	isobavachalcone
Stars
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'.
Secondary ChEBI IDs	CHEBI:5984, CHEBI:24881
Last Modified	28 July 2014
Downloads	Molfile

Formula	C20H20O4
Net Charge	0
Average Mass	324.376
Monoisotopic Mass	324.13616
SMILES	CC(C)=CCc1c(O)ccc(C(=O)/C=C/c2ccc(O)cc2)c1O
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

Roles Classification

Biological Roles:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.
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
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

Registry Numbers	Sources
Reaxys:2004917	Reaxys
CAS:20784-50-3	ChemIDplus
CAS:20784-50-3	KEGG COMPOUND

Citations