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CHEBI:50400 - α-berbine

Default Structure
ChEBI IDCHEBI:50400
ChEBI Nameα-berbine
Stars
ASCII Namealpha-berbine
Secondary ChEBI IDsCHEBI:411, CHEBI:11055, CHEBI:18764, CHEBI:35612
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H17N
Net Charge0
Average Mass235.330
Monoisotopic Mass235.13610
SMILES[H][C@@]12Cc3ccccc3CN1CCc1ccccc12
InChIInChI=1S/C17H17N/c1-2-7-15-12-18-10-9-13-5-3-4-8-16(13)17(18)11-14(15)6-1/h1-8,17H,9-12H2/t17-/m0/s1
InChIKeyBRLDZKPJJNASGG-KRWDZBQOSA-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)
α-berbine (CHEBI:50400) is a berbine (CHEBI:35611)
α-berbine (CHEBI:50400) is enantiomer of β-berbine (CHEBI:35614)
Incoming Relation(s)
N-methyl-α-berbine (CHEBI:50538) has functional parent α-berbine (CHEBI:50400)
β-berbine (CHEBI:35614) is enantiomer of α-berbine (CHEBI:50400)
IUPAC Name 
13aα-berbine
Synonyms  Source
berbineChemIDplus
(S)-5,8,13,13a-tetrahydro-6H-dibenzo[a,g]quinolizineChEBI
(S)-7,8,13,14-TetrahydroprotoberberineKEGG COMPOUND
(S)-TetrahydroprotoberberineKEGG COMPOUND
Manual XrefsDatabases
C05204KEGG COMPOUND
Registry NumbersSources
Beilstein:1347085Beilstein
CAS:131-10-2ChemIDplus
CAS:131-10-2KEGG COMPOUND