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CHEBI:66212 - 5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone

ChEBI IDCHEBI:66212
ChEBI Name5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone
Stars
DefinitionA member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone with additional hydroxy groups at positions 5, 3' and 4' and a prenyl group at position 2'. Isolated from the roots of Psorothamnus arborescens, it exhibits antileishmanial activity.
Last Modified12 March 2013
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESCC(C)=CCc1c(-c2coc3cc(O)cc(O)c3c2=O)ccc(O)c1O
InChIInChI=1S/C20H18O6/c1-10(2)3-4-13-12(5-6-15(22)19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChIKeyXIUMMQJDWWYGHD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Psorothamnus arborescens (ncbitaxon:248527) root (BTO:0001188) PubMed (16441066)
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.
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
Application:
antileishmanial agent  An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
ChEBI Ontology
Outgoing Relation(s)
5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone (CHEBI:66212) has role antileishmanial agent (CHEBI:70868)
5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone (CHEBI:66212) has role metabolite (CHEBI:25212)
5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone (CHEBI:66212) is a 7-hydroxyisoflavones (CHEBI:55465)
IUPAC Name 
3-[3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one
Registry NumbersSources
Reaxys:15869591Reaxys
Citations