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CHEBI:65763 - 5,5'-dibutoxy-2,2'-bifuran

ChEBI IDCHEBI:65763
ChEBI Name5,5'-dibutoxy-2,2'-bifuran
Stars
DefinitionA ring assembly that consists of 2,2'-bifuran substituted by butoxy groups at positions 5 and 5' respectively. It is isolated from the aerial parts of Chrysanthemum coronarium and acts as an inhibitor of human AcylCoA:cholesterol acyltransferase hACAT-1 and hACAT-2.
Last Modified4 January 2013
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCCCCOc1ccc(-c2ccc(OCCCC)o2)o1
InChIInChI=1S/C16H22O4/c1-3-5-11-17-15-9-7-13(19-15)14-8-10-16(20-14)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyBQFASOONPNRMGH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chrysanthemum coronarium (ncbitaxon:99038) aerial part (BTO:0001658) PubMed (18481011)
Roles Classification
Biological Roles:
EC 2.3.1.26 (sterol O-acyltransferase) inhibitor  An EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor that interferes with the action of acyl-CoA:cholesterol acyltransferase (EC 2.3.1.26).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5,5'-dibutoxy-2,2'-bifuran (CHEBI:65763) has role EC 2.3.1.26 (sterol O-acyltransferase) inhibitor (CHEBI:64696)
5,5'-dibutoxy-2,2'-bifuran (CHEBI:65763) has role metabolite (CHEBI:25212)
5,5'-dibutoxy-2,2'-bifuran (CHEBI:65763) is a ether (CHEBI:25698)
5,5'-dibutoxy-2,2'-bifuran (CHEBI:65763) is a furans (CHEBI:24129)
5,5'-dibutoxy-2,2'-bifuran (CHEBI:65763) is a ring assembly (CHEBI:36820)
IUPAC Name 
5,5'-dibutoxy-2,2'-bifuran
Registry NumbersSources
Reaxys:20775042Reaxys
Citations