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CHEBI:134198 - (R)-tembetarine

ChEBI IDCHEBI:134198
ChEBI Name(R)-tembetarine
Stars
ASCII Name(R)-tembetarine
DefinitionA tembetarine obtained by methylation of the tertiary amino function of (R)-reticuline.
Last Modified31 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N+]2(C)C)cc1O
InChIInChI=1S/C20H25NO4/c1-21(2)8-7-14-11-20(25-4)18(23)12-15(14)16(21)9-13-5-6-19(24-3)17(22)10-13/h5-6,10-12,16H,7-9H2,1-4H3,(H-,22,23)/p+1/t16-/m1/s1
InChIKeyABSDACFLIMOXJY-MRXNPFEDSA-O
ChEBI Ontology
Outgoing Relation(s)
(R)-tembetarine (CHEBI:134198) has functional parent (R)-reticuline (CHEBI:17428)
(R)-tembetarine (CHEBI:134198) is a tembetarine (CHEBI:136682)
(R)-tembetarine (CHEBI:134198) is enantiomer of (S)-tembetarine (CHEBI:134199)
Incoming Relation(s)
(S)-tembetarine (CHEBI:134199) is enantiomer of (R)-tembetarine (CHEBI:134198)
IUPAC Name 
(1R)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium
UniProt Name  Source
(R)-tembetarineUniProt
Registry NumbersSources
Reaxys:30448912Reaxys
Citations