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ChEBI
> Main
CHEBI:76103 - laudanine
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ChEBI Ontology
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ChEBI Name
laudanine
ChEBI ID
CHEBI:76103
Definition
A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C20H25NO4
Net Charge
0
Average Mass
343.41680
Monoisotopic Mass
343.17836
InChI
InChI=1S/C20H25NO4/c1-
21-
8-
7-
14-
11-
19(24-
3)
20(25-
4)
12-
15(14)
16(21)
9-
13-
5-
6-
18(23-
2)
17(22)
10-
13/h5-
6,10-
12,16,22H,7-
9H2,1-
4H3
InChIKey
MPYHGNAJOKCMAQ-UHFFFAOYSA-N
SMILES
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O
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
laudanine (
CHEBI:76103
)
has functional parent
norlaudanosoline (
CHEBI:28770
)
laudanine (
CHEBI:76103
)
is a
aromatic ether (
CHEBI:35618
)
laudanine (
CHEBI:76103
)
is a
benzylisoquinoline alkaloid (
CHEBI:22750
)
laudanine (
CHEBI:76103
)
is a
benzyltetrahydroisoquinoline (
CHEBI:26901
)
laudanine (
CHEBI:76103
)
is a
phenols (
CHEBI:33853
)
laudanine (
CHEBI:76103
)
is conjugate base of
laudanine(1+) (
CHEBI:76102
)
Incoming
(
R
)-laudanine (
CHEBI:76105
)
is a
laudanine (
CHEBI:76103
)
(
S
)-laudanine (
CHEBI:76101
)
is a
laudanine (
CHEBI:76103
)
laudanine(1+) (
CHEBI:76102
)
is conjugate acid of
laudanine (
CHEBI:76103
)
IUPAC Name
5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol
Manual Xref
Database
C17592
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
85-64-3
CAS Registry Number
ChemIDplus
96360
Reaxys Registry Number
Reaxys
Last Modified
05 April 2017