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CHEBI:76105 - (R)-laudanine

Default Structure
ChEBI IDCHEBI:76105
ChEBI Name(R)-laudanine
Stars
ASCII Name(R)-laudanine
DefinitionThe (R)-enantiomer of laudanine
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H25NO4
Net Charge0
Average Mass343.423
Monoisotopic Mass343.17836
SMILESCOc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O
InChIInChI=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-/m1/s1
InChIKeyMPYHGNAJOKCMAQ-MRXNPFEDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(R)-laudanine (CHEBI:76105) has functional parent (R)-norlaudanosoline (CHEBI:27702)
(R)-laudanine (CHEBI:76105) is a laudanine (CHEBI:76103)
(R)-laudanine (CHEBI:76105) is conjugate base of (R)-laudanine(1+) (CHEBI:76001)
(R)-laudanine (CHEBI:76105) is enantiomer of (S)-laudanine (CHEBI:76101)
Incoming Relation(s)
rac-laudanosoline (CHEBI:76106) has part (R)-laudanine (CHEBI:76105)
(R)-laudanine(1+) (CHEBI:76001) is conjugate acid of (R)-laudanine (CHEBI:76105)
(S)-laudanine (CHEBI:76101) is enantiomer of (R)-laudanine (CHEBI:76105)
IUPAC Name 
5-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol
Synonym  Source
(−)-laudanineChEBI
Manual XrefsDatabases
C00001875KNApSAcK
C09555KEGG COMPOUND
HMDB0030211HMDB
Registry NumbersSources
Reaxys:96362Reaxys
CAS:301-21-3KEGG COMPOUND
CAS:301-21-3HMDB
Citations