CHEBI:845 - 2'-norberbamunine

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ChEBI Name 2'-norberbamunine
ChEBI ID CHEBI:845
Definition A benzylisoquinoline alkaloid that is berbamunine in which the methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C35H38N2O6
Net Charge 0
Average Mass 582.68600
Monoisotopic Mass 582.27299
InChI InChI=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
InChIKey MLNXJBWXCQOCIN-URLMMPGGSA-N
SMILES COc1cc2CCN[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O
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 )
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ChEBI Ontology
Outgoing 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 Xref Database
C06512 KEGG COMPOUND
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Citation Waiting for Citations Type Source
8380416 PubMed citation Europe PMC
Last Modified
12 August 2016