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:134217 -
N
-methylbulbocapnine(1+)
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
N
-methylbulbocapnine(1+)
ChEBI ID
CHEBI:134217
ChEBI ASCII Name
N-methylbulbocapnine(1+)
Definition
A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of bulbocapnine.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C20H22NO4
Net Charge
+1
Average Mass
340.394
Monoisotopic Mass
340.15433
InChI
InChI=1S/C20H21NO4/c1-
21(2)
7-
6-
12-
9-
15-
20(25-
10-
24-
15)
18-
16(12)
13(21)
8-
11-
4-
5-
14(23-
3)
19(22)
17(11)
18/h4-
5,9,13H,6-
8,10H2,1-
3H3/p+1/t13-
/m0/s1
InChIKey
PQVMQKAGJGBKQC-ZDUSSCGKSA-O
SMILES
C12=C3[C@](CC4=C1C(=C(OC)C=C4)O)([N+](CCC3=CC5=C2OCO5)(C)C)[H]
Roles Classification
Biological Role
(s):
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
N
-methylbulbocapnine(1+) (
CHEBI:134217
)
has functional parent
bulbocapnine (
CHEBI:3211
)
N
-methylbulbocapnine(1+) (
CHEBI:134217
)
is a
aporphine alkaloid (
CHEBI:134209
)
N
-methylbulbocapnine(1+) (
CHEBI:134217
)
is a
quaternary ammonium ion (
CHEBI:35267
)
IUPAC Name
(7a
S
)-
12-
hydroxy-
11-
methoxy-
7,7-
dimethyl-
6,7,7a,8-
tetrahydro-
2
H
,5
H
-
[1,3]benzodioxolo[6,5,4-
de
]benzo[
g
]quinolin-
7-
ium
Synonyms
Sources
(
S
)-
N
-methylbulbocapnine
UniProt
(
S
)-
N
-methylbulbocapnine(1+)
ChEBI
Citation
Type
Source
27573242
PubMed citation
SUBMITTER
Last Modified
12 April 2017