CHEBI:133993 - 4'-O-methylnorbelladine(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4'-O-methylnorbelladine(1+)
ChEBI ID CHEBI:133993
ChEBI ASCII Name 4'-O-methylnorbelladine(1+)
Definition An organic cation obtained by protonation of the secondary amino group of 4'-O-methylnorbelladine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C16H20NO3
Net Charge +1
Average Mass 274.336
Monoisotopic Mass 274.14377
InChI InChI=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/p+1
InChIKey SDLILULALIDNSO-UHFFFAOYSA-O
SMILES C1(=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)O)O)OC
ChEBI Ontology
Outgoing 4'-O-methylnorbelladine(1+) (CHEBI:133993) is a ammonium ion derivative (CHEBI:35274)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is a organic cation (CHEBI:25697)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is conjugate acid of 4'-O-methylnorbelladine (CHEBI:80667)
Incoming 4'-O-methylnorbelladine (CHEBI:80667) is conjugate base of 4'-O-methylnorbelladine(1+) (CHEBI:133993)
IUPAC Name
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
Synonym Source
4'-O-methylnorbelladine UniProt
Citation Type Source
26941773 PubMed citation SUBMITTER
Last Modified
15 March 2017