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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2438 - acrophylline
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ChEBI Ontology
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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.
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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(9
H
)-one
Synonym
Source
Acrophylline
KEGG COMPOUND
Manual Xrefs
Databases
C00002131
KNApSAcK
C10634
KEGG COMPOUND
View more database links
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
Types
Sources
5640105
PubMed citation
Europe PMC
7760067
PubMed citation
Europe PMC
Last Modified
29 January 2015