CHEBI:80666 - norbelladine

ChEBI IDCHEBI:80666
ChEBI Namenorbelladine
Stars
DefinitionA phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group.
Last Modified21 March 2017
DownloadsMolfile
FormulaC15H17NO3
Net Charge0
Average Mass259.305
Monoisotopic Mass259.12084
SMILESOc1ccc(CCNCc2ccc(O)c(O)c2)cc1
InChIInChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2
InChIKeyYJYUDTAJVLORNV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Leucojum aestivum (ncbitaxon:54835) - PubMed (25061748)
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)
norbelladine (CHEBI:80666) has functional parent tyramine (CHEBI:15760)
norbelladine (CHEBI:80666) has role plant metabolite (CHEBI:76924)
norbelladine (CHEBI:80666) is a catechols (CHEBI:33566)
norbelladine (CHEBI:80666) is a phenethylamine alkaloid (CHEBI:38605)
norbelladine (CHEBI:80666) is a polyphenol (CHEBI:26195)
norbelladine (CHEBI:80666) is a secondary amino compound (CHEBI:50995)
norbelladine (CHEBI:80666) is conjugate base of norbelladine(1+) (CHEBI:134001)
Incoming Relation(s)
4'-O-methylnorbelladine (CHEBI:80667) has functional parent norbelladine (CHEBI:80666)
norbelladine(1+) (CHEBI:134001) is conjugate acid of norbelladine (CHEBI:80666)
IUPAC Name 
4-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)benzene-1,2-diol
Manual XrefsDatabases
C16701KEGG COMPOUND
CPD-19420MetaCyc
Registry NumbersSources
Reaxys:2812363Reaxys
Citations