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:15920 - columbamine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
columbamine
ChEBI ID
CHEBI:15920
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:3827, CHEBI:14014, CHEBI:23363
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
C20H20NO4
Net Charge
+1
Average Mass
338.37714
Monoisotopic Mass
338.13868
InChI
InChI=1S/C20H19NO4/c1-
23-
18-
5-
4-
12-
8-
16-
14-
10-
17(22)
19(24-
2)
9-
13(14)
6-
7-
21(16)
11-
15(12)
20(18)
25-
3/h4-
5,8-
11H,6-
7H2,1-
3H3/p+1
InChIKey
YYFOFDHQVIODOQ-UHFFFAOYSA-O
SMILES
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1O
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
columbamine (
CHEBI:15920
)
is a
berberine alkaloid (
CHEBI:22754
)
columbamine (
CHEBI:15920
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
Incoming
(
S
)-tetrahydrocolumbamine (
CHEBI:17772
)
has functional parent
columbamine (
CHEBI:15920
)
IUPAC Name
2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-
a
]isoquinolinium
Synonyms
Sources
5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium
ChEBI
Columbamine
KEGG COMPOUND
columbamine
UniProt
Manual Xrefs
Databases
C00024667
KNApSAcK
C01795
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3621-36-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014