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CHEBI:845 - 2'-norberbamunine

ChEBI IDCHEBI:845
ChEBI Name2'-norberbamunine
Stars
DefinitionA benzylisoquinoline alkaloid that is berbamunine in which the methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings.
Last Modified12 August 2016
DownloadsMolfile
FormulaC35H38N2O6
Net Charge0
Average Mass582.697
Monoisotopic Mass582.27299
SMILESCOc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CCN4C)ccc3O)cc1)NCC2
InChIInChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1
InChIKeyMLNXJBWXCQOCIN-URLMMPGGSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
2'-norberbamunine (CHEBI:845) has functional parent berbamunine (CHEBI:16777)
2'-norberbamunine (CHEBI:845) has role metabolite (CHEBI:25212)
2'-norberbamunine (CHEBI:845) is a benzyltetrahydroisoquinoline (CHEBI:26901)
2'-norberbamunine (CHEBI:845) is a bisbenzylisoquinoline alkaloid (CHEBI:133004)
2'-norberbamunine (CHEBI:845) is a isoquinolinol (CHEBI:24923)
IUPAC Name 
(1R)-1-[4-hydroxy-3-(4-{[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
Manual XrefsDatabases
C06512KEGG COMPOUND
Citations