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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:195379 - (
S
)-tetrahydropapaverine
Main
ChEBI Ontology
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ChEBI Name
(
S
)-tetrahydropapaverine
ChEBI ID
CHEBI:195379
ChEBI ASCII Name
(S)-tetrahydropapaverine
Definition
The
S
-enantiomer of tetrahydropapaverine.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
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Formula
C20H25NO4
Net Charge
0
Average Mass
343.423
Monoisotopic Mass
343.17836
InChI
InChI=1S/C20H25NO4/c1-
22-
17-
6-
5-
13(10-
18(17)
23-
2)
9-
16-
15-
12-
20(25-
4)
19(24-
3)
11-
14(15)
7-
8-
21-
16/h5-
6,10-
12,16,21H,7-
9H2,1-
4H3/t16-
/m0/s1
InChIKey
YXWQTVWJNHKSCC-INIZCTEOSA-N
SMILES
COC1=CC=C(C[C@@H]2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
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
(
S
)-tetrahydropapaverine (
CHEBI:195379
)
is a
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (
CHEBI:195380
)
(
S
)-tetrahydropapaverine (
CHEBI:195379
)
is enantiomer of
(
R
)-tetrahydropapaverine (
CHEBI:136735
)
Incoming
(
R
S
)-tetrahydropapaverine (
CHEBI:195381
)
has part
(
S
)-tetrahydropapaverine (
CHEBI:195379
)
(
R
)-tetrahydropapaverine (
CHEBI:136735
)
is enantiomer of
(
S
)-tetrahydropapaverine (
CHEBI:195379
)
IUPAC Name
(1
S
)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Synonyms
Sources
(−)-tetrahydropapaverine
ChEBI
(
S
)-norlaudanosine
ChEBI
Manual Xrefs
Databases
C00027154
KNApSAcK
C21631
KEGG COMPOUND
S9T
PDBeChem
View more database links
Registry Number
Type
Source
4747-98-2
CAS Registry Number
KNApSAcK
Citations
Types
Sources
22535422
PubMed citation
Europe PMC
23118227
PubMed citation
Europe PMC
Last Modified
17 July 2023