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CHEBI:2438 - acrophylline

ChEBI IDCHEBI:2438
ChEBI Nameacrophylline
Stars
DefinitionA quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively.
Last Modified29 January 2015
DownloadsMolfile
FormulaC17H17NO3
Net Charge0
Average Mass283.327
Monoisotopic Mass283.12084
SMILESCOc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1
InChIInChI=1S/C17H17NO3/c1-11(2)6-8-18-15-10-12(20-3)4-5-13(15)16(19)14-7-9-21-17(14)18/h4-7,9-10H,8H2,1-3H3
InChIKeyGARIOWCJZYSSOE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acronychia (ncbitaxon:43714) - PubMed (5640105)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
acrophylline (CHEBI:2438) has role plant metabolite (CHEBI:76924)
acrophylline (CHEBI:2438) is a aromatic ether (CHEBI:35618)
acrophylline (CHEBI:2438) is a furoquinoline (CHEBI:84586)
acrophylline (CHEBI:2438) is a olefinic compound (CHEBI:78840)
acrophylline (CHEBI:2438) is a quinoline alkaloid (CHEBI:26509)
IUPAC Name 
7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4(9H)-one
Synonym  Source
AcrophyllineKEGG COMPOUND
Manual XrefsDatabases
C10634KEGG COMPOUND
C00002131KNApSAcK
Registry NumbersSources
Reaxys:550718Reaxys
CAS:18904-40-0KEGG COMPOUND
CAS:18904-40-0ChemIDplus
Citations