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> Main
CHEBI:133847 - aspernigrin B
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ChEBI Name
aspernigrin B
ChEBI ID
CHEBI:133847
Definition
A pyridine alkaloid with formula C
27
H
24
N
2
O
5
that is isolated from
Aspergillus niger
and displays neuroprotective protperties.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Julian Brandl
Supplier Information
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Formula
C27H24N2O5
Net Charge
0
Average Mass
456.491
Monoisotopic Mass
456.16852
InChI
InChI=1S/C27H24N2O5/c1-
33-
21-
15-
25(34-
26(31)
16-
21)
23(13-
19-
10-
6-
3-
7-
11-
19)
29-
17-
22(27(28)
32)
24(30)
14-
20(29)
12-
18-
8-
4-
2-
5-
9-
18/h2-
11,14-
17,23H,12-
13H2,1H3,(H2,28,32)
/t23-
/m0/s1
InChIKey
CPVCVIXCXKPURM-QHCPKHFHSA-N
SMILES
C=1C(=CC=CC1)CC=2N(C=C(C(C2)=O)C(=O)N)[C@@H](CC=3C=CC=CC3)C=4OC(C=C(C4)OC)=O
Metabolite of Species
Details
Aspergillus niger
(NCBI:txid5061)
See:
PubMed
Aspergillus niger
(NCBI:txid5061)
See:
DOI
Roles Classification
Biological Role
(s):
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould,
Aspergillus
.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
aspernigrin B (
CHEBI:133847
)
has role
Aspergillus
metabolite (
CHEBI:76956
)
aspernigrin B (
CHEBI:133847
)
has role
neuroprotective agent (
CHEBI:63726
)
aspernigrin B (
CHEBI:133847
)
is a
2-pyranones (
CHEBI:75885
)
aspernigrin B (
CHEBI:133847
)
is a
4-pyridones (
CHEBI:20485
)
aspernigrin B (
CHEBI:133847
)
is a
aromatic ether (
CHEBI:35618
)
aspernigrin B (
CHEBI:133847
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
aspernigrin B (
CHEBI:133847
)
is a
pyridine alkaloid (
CHEBI:26416
)
IUPAC Name
6-
benzyl-
1-
[(1
S
)-
1-
(4-
methoxy-
2-
oxo-
2
H
-
pyran-
6-
yl)-
2-
phenylethyl]-
4-
oxo-
1,4-
dihydropyridine-
3-
carboxamide
Manual Xref
Database
C00043300
KNApSAcK
View more database links
Registry Numbers
Types
Sources
29214437
Reaxys Registry Number
Reaxys
773855-63-3
CAS Registry Number
KNApSAcK
Citation
Type
Source
15387655
PubMed citation
Europe PMC
Last Modified
02 March 2017