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ChEBI
> Main
CHEBI:845 - 2'-norberbamunine
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ChEBI Ontology
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ChEBI Name
2'-norberbamunine
ChEBI ID
CHEBI:845
Definition
A benzylisoquinoline alkaloid that is berbamunine in which the methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C35H38N2O6
Net Charge
0
Average Mass
582.68600
Monoisotopic Mass
582.27299
InChI
InChI=1S/C35H38N2O6/c1-
37-
13-
11-
24-
18-
34(42-
3)
32(40)
20-
27(24)
29(37)
15-
22-
6-
9-
30(38)
35(16-
22)
43-
25-
7-
4-
21(5-
8-
25)
14-
28-
26-
19-
31(39)
33(41-
2)
17-
23(26)
10-
12-
36-
28/h4-
9,16-
20,28-
29,36,38-
40H,10-
15H2,1-
3H3/t28-
,29+/m0/s1
InChIKey
MLNXJBWXCQOCIN-URLMMPGGSA-N
SMILES
COc1cc2CCN[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)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
2'-norberbamunine (
CHEBI:845
)
has functional parent
berbamunine (
CHEBI:16777
)
2'-norberbamunine (
CHEBI:845
)
has role
metabolite (
CHEBI:25212
)
2'-norberbamunine (
CHEBI:845
)
is a
benzyltetrahydroisoquinoline (
CHEBI:26901
)
2'-norberbamunine (
CHEBI:845
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
2'-norberbamunine (
CHEBI:845
)
is a
isoquinolinol (
CHEBI:24923
)
IUPAC Name
(1
R
)-
1-
[4-
hydroxy-
3-
(4-
{[(1
S
)-
7-
hydroxy-
6-
methoxy-
1,2,3,4-
tetrahydroisoquinolin-
1-
yl]methyl}phenoxy)benzyl]-
6-
methoxy-
2-
methyl-
1,2,3,4-
tetrahydroisoquinolin-
7-
ol
Manual Xref
Database
C06512
KEGG COMPOUND
View more database links
Citation
Type
Source
8380416
PubMed citation
Europe PMC
Last Modified
12 August 2016