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

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ChEBI Name 5,7,3',4'-tetrahydroxy-2'-(3,3-dimethylallyl)isoflavone
ChEBI ID CHEBI:66212
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H18O6
Net Charge 0
Average Mass 354.35330
Monoisotopic Mass 354.11034
InChI InChI=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
InChIKey XIUMMQJDWWYGHD-UHFFFAOYSA-N
SMILES CC(C)=CCc1c(O)c(O)ccc1-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species Details
Psorothamnus arborescens (NCBI:txid248527) Found in root (BTO:0001188). See: PubMed
Roles Classification
Biological Role(s): 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(s): antileishmanial agent
An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
15869591 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16441066 PubMed citation Europe PMC
Last Modified
12 March 2013