hinokinin (CHEBI:5722)

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ChEBI Name	hinokinin

ChEBI ID	CHEBI:5722

Definition	A 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).

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:487491

Supplier Information

Download	Molfile XML SDF

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Formula

C20H18O6

Net Charge

Average Mass

354.35330

Monoisotopic Mass

354.11034

InChI

InChI=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

InChIKey

DDWGQGZPYDSYEL-LSDHHAIUSA-N

SMILES

O=C1OC[C@H](Cc2ccc3OCOc3c2)[C@H]1Cc1ccc2OCOc2c1

Roles Classification
Biological Role(s):	trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

Application(s):	trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida.

ChEBI Ontology
Outgoing	hinokinin (CHEBI:5722) has role trypanocidal drug (CHEBI:36335) hinokinin (CHEBI:5722) is a γ-lactone (CHEBI:37581) hinokinin (CHEBI:5722) is a benzodioxoles (CHEBI:38298) hinokinin (CHEBI:5722) is a lignan (CHEBI:25036)

Synonyms	Sources
(−)-hinokinin	ChEBI
(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one	IUPAC
(3R-trans)-3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydrofuran-2(3H)-one	ChEBI
Hinokinin	KEGG COMPOUND

Last Modified

28 July 2014