CHEBI:80667 - 4'-O-methylnorbelladine

ChEBI IDCHEBI:80667
ChEBI Name4'-O-methylnorbelladine
Stars
DefinitionA phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4' has been replaced by a methyl group.
Last Modified7 April 2017
DownloadsMolfile
FormulaC16H19NO3
Net Charge0
Average Mass273.332
Monoisotopic Mass273.13649
SMILESCOc1ccc(CNCCc2ccc(O)cc2)cc1O
InChIInChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3
InChIKeySDLILULALIDNSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leucojum aestivum (ncbitaxon:54835) stem (BTO:0001300) PubMed (20066175)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
4'-O-methylnorbelladine (CHEBI:80667) has functional parent norbelladine (CHEBI:80666)
4'-O-methylnorbelladine (CHEBI:80667) has role plant metabolite (CHEBI:76924)
4'-O-methylnorbelladine (CHEBI:80667) is a guaiacols (CHEBI:134251)
4'-O-methylnorbelladine (CHEBI:80667) is a phenethylamine alkaloid (CHEBI:38605)
4'-O-methylnorbelladine (CHEBI:80667) is a polyphenol (CHEBI:26195)
4'-O-methylnorbelladine (CHEBI:80667) is a secondary amino compound (CHEBI:50995)
4'-O-methylnorbelladine (CHEBI:80667) is conjugate base of 4'-O-methylnorbelladine(1+) (CHEBI:133993)
Incoming Relation(s)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is conjugate acid of 4'-O-methylnorbelladine (CHEBI:80667)
IUPAC Name 
5-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-2-methoxyphenol
Synonym  Source
N-isovanillyltyramineChEBI
Manual XrefsDatabases
C16702KEGG COMPOUND
CPD-19421MetaCyc
Registry NumbersSources
Reaxys:2812972Reaxys
Citations