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ChEBI
> Main
CHEBI:17031 - chelirubine
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ChEBI Ontology
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ChEBI Name
chelirubine
ChEBI ID
CHEBI:17031
Definition
A benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13959, CHEBI:3587
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Formula
C21H16NO5
Net Charge
+1
Average Mass
362.35548
Monoisotopic Mass
362.10230
InChI
InChI=1S/C21H16NO5/c1-
22-
8-
14-
19(17(23-
2)
7-
18-
21(14)
27-
10-
26-
18)
12-
4-
3-
11-
5-
15-
16(25-
9-
24-
15)
6-
13(11)
20(12)
22/h3-
8H,9-
10H2,1-
2H3/q+1
InChIKey
RNSBFHHWMMKJAM-UHFFFAOYSA-N
SMILES
COc1cc2OCOc2c2c[n+](C)c3c4cc5OCOc5cc4ccc3c12
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
chelirubine (
CHEBI:17031
)
has parent hydride
sanguinarine (
CHEBI:17183
)
chelirubine (
CHEBI:17031
)
is a
benzophenanthridine alkaloid (
CHEBI:38517
)
chelirubine (
CHEBI:17031
)
is a
organic cation (
CHEBI:25697
)
Incoming
10-hydroxydihydrochelirubine (
CHEBI:28270
)
has functional parent
chelirubine (
CHEBI:17031
)
12-hydroxydihydrochelirubine (
CHEBI:15716
)
has functional parent
chelirubine (
CHEBI:17031
)
IUPAC Name
5-
methoxy-
13-
methyl-
2
H
,10
H
-
[1,3]dioxolo[4,5-
i
][1,3]dioxolo[4',5':4,5]benzo[1,2-
c
]phenanthridinium
Synonyms
Sources
Chelirubine
KEGG COMPOUND
chelirubine
UniProt
Manual Xrefs
Databases
C00001821
KNApSAcK
C00024636
KNApSAcK
C06327
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
18203-11-7
CAS Registry Number
KEGG COMPOUND
18203-11-7
CAS Registry Number
ChemIDplus
4161959
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11842172
PubMed citation
Europe PMC
12357384
PubMed citation
Europe PMC
12602874
PubMed citation
Europe PMC
16910039
PubMed citation
Europe PMC
17367981
PubMed citation
Europe PMC
17549765
PubMed citation
Europe PMC
1822177
PubMed citation
Europe PMC
19183968
PubMed citation
Europe PMC
20117181
PubMed citation
Europe PMC
21512447
PubMed citation
Europe PMC
4092262
PubMed citation
Europe PMC
Last Modified
28 July 2014