CHEBI:76101 - (S)-laudanine

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ChEBI Name (S)-laudanine
ChEBI ID CHEBI:76101
ChEBI ASCII Name (S)-laudanine
Definition The (S)-enantiomer of laudanine
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H25NO4
Net Charge 0
Average Mass 343.41680
Monoisotopic Mass 343.178
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/t16-/m0/s1
InChIKey MPYHGNAJOKCMAQ-INIZCTEOSA-N
SMILES COc1ccc(C[C@@H]2N(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 (S)-laudanine (CHEBI:76101) has functional parent (S)-norlaudanosoline (CHEBI:28651)
(S)-laudanine (CHEBI:76101) is a laudanine (CHEBI:76103)
(S)-laudanine (CHEBI:76101) is conjugate base of (S)-laudanine(1+) (CHEBI:75999)
(S)-laudanine (CHEBI:76101) is enantiomer of (R)-laudanine (CHEBI:76105)
Incoming rac-laudanosoline (CHEBI:76106) has part (S)-laudanine (CHEBI:76101)
(S)-laudanine(1+) (CHEBI:75999) is conjugate acid of (S)-laudanine (CHEBI:76101)
(R)-laudanine (CHEBI:76105) is enantiomer of (S)-laudanine (CHEBI:76101)
IUPAC Name
5-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol
Synonym Source
(+)-laudanine ChEBI
Manual Xref Database
CPD-8924 MetaCyc
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Registry Number Type Source
96361 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15353584 PubMed citation Europe PMC
Last Modified
28 October 2013