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> Main
CHEBI:3005 - belladine
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ChEBI Ontology
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ChEBI Name
belladine
ChEBI ID
CHEBI:3005
Definition
A phenethylamine alkaloid that is
N
-methyl-4-methoxyphenylethylamine carrying an additional
N
-(3,4-dimethoxybenzyl) substituent.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H25NO3
Net Charge
0
Average Mass
315.40674
Monoisotopic Mass
315.18344
InChI
InChI=1S/C19H25NO3/c1-
20(12-
11-
15-
5-
8-
17(21-
2)
9-
6-
15)
14-
16-
7-
10-
18(22-
3)
19(13-
16)
23-
4/h5-
10,13H,11-
12,14H2,1-
4H3
InChIKey
LTXRLUQBZWBCGH-UHFFFAOYSA-N
SMILES
COc1ccc(CCN(C)Cc2ccc(OC)c(OC)c2)cc1
Metabolite of Species
Details
Nerine bowdenii
(NCBI:txid59042)
See:
PubMed
Chlidanthus fragrans
(NCBI:txid82222)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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.
EC 3.1.1.7 (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
EC 3.1.1.8 (cholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
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
belladine (
CHEBI:3005
)
has role
EC 3.1.1.7 (acetylcholinesterase) inhibitor (
CHEBI:38462
)
belladine (
CHEBI:3005
)
has role
EC 3.1.1.8 (cholinesterase) inhibitor (
CHEBI:37733
)
belladine (
CHEBI:3005
)
has role
plant metabolite (
CHEBI:76924
)
belladine (
CHEBI:3005
)
is a
dimethoxybenzene (
CHEBI:51681
)
belladine (
CHEBI:3005
)
is a
monomethoxybenzene (
CHEBI:25235
)
belladine (
CHEBI:3005
)
is a
phenethylamine alkaloid (
CHEBI:38605
)
belladine (
CHEBI:3005
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
N
-(3,4-dimethoxybenzyl)-2-(4-methoxyphenyl)-
N
-methylethanamine
Synonym
Source
Belladine
KEGG COMPOUND
Manual Xrefs
Databases
C00001562
KNApSAcK
C08518
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2817513
Reaxys Registry Number
Reaxys
2817513
Beilstein Registry Number
Beilstein
501-06-4
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
21615016
PubMed citation
Europe PMC
22312717
PubMed citation
Europe PMC
Last Modified
12 February 2015