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CHEBI:5722 - hinokinin

ChEBI IDCHEBI:5722
ChEBI Namehinokinin
Stars
DefinitionA lignan that is dihydrofuran-2(3H)-one (γ-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer).
Secondary ChEBI IDCHEBI:487491
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESO=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
InChIKeyDDWGQGZPYDSYEL-LSDHHAIUSA-N
Roles Classification
Biological Role:
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
Application:
trypanocidal drug  A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.
ChEBI Ontology
Outgoing Relation(s)
hinokinin (CHEBI:5722) has role trypanocidal drug (CHEBI:36335)
hinokinin (CHEBI:5722) is a benzodioxoles (CHEBI:38298)
hinokinin (CHEBI:5722) is a lignan (CHEBI:25036)
hinokinin (CHEBI:5722) is a γ-lactone (CHEBI:37581)
Synonyms  Source
HinokininKEGG COMPOUND
(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-oneIUPAC
(−)-hinokininChEBI
(3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-oneChEBI
Manual XrefsDatabases
C10627KEGG COMPOUND
C00002608KNApSAcK
Registry NumbersSources
Reaxys:95369Reaxys
CAS:26543-89-5KEGG COMPOUND
CAS:26543-89-5ChemIDplus
Citations