CHEBI:2438 - acrophylline

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ChEBI Name acrophylline
ChEBI ID CHEBI:2438
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H17NO3
Net Charge 0
Average Mass 283.32182
Monoisotopic Mass 283.12084
InChI InChI=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
InChIKey GARIOWCJZYSSOE-UHFFFAOYSA-N
SMILES COc1ccc2c(c1)n(CC=C(C)C)c1occc1c2=O
Metabolite of Species Details
Acronychia (NCBI:txid43714) See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Acrophylline KEGG COMPOUND
Manual Xrefs Databases
C00002131 KNApSAcK
C10634 KEGG COMPOUND
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Registry Numbers Types Sources
18904-40-0 CAS Registry Number KEGG COMPOUND
18904-40-0 CAS Registry Number ChemIDplus
550718 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
5640105 PubMed citation Europe PMC
7760067 PubMed citation Europe PMC
Last Modified
29 January 2015