CHEBI:3005 - belladine

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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.
Supplier Information
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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 (Bronsted 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 Waiting for Citations Types Sources
21615016 PubMed citation Europe PMC
22312717 PubMed citation Europe PMC
Last Modified
12 February 2015