Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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