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CHEBI:10435 - β-obscurine

ChEBI IDCHEBI:10435
ChEBI Nameβ-obscurine
Stars
ASCII Namebeta-obscurine
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H24N2O
Net Charge0
Average Mass272.392
Monoisotopic Mass272.18886
SMILES[H][C@]12CCCN(C)[C@]13C[C@H](C)C[C@H]2Cc1nc(=O)ccc13
InChIInChI=1S/C17H24N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)/t11-,12+,13-,17-/m1/s1
InChIKeySIQKNJDHWYZFFT-IPJQOSJUSA-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)
β-obscurine (CHEBI:10435) is a organic heterotetracyclic compound (CHEBI:38163)
β-obscurine (CHEBI:10435) is a quinoline alkaloid (CHEBI:26509)
IUPAC Name 
(1R,9S,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3-dien-5-one
Synonym  Source
beta-ObscurineKEGG COMPOUND
Manual XrefsDatabases
C09890KEGG COMPOUND
C00027934KNApSAcK
C00001952KNApSAcK
Registry NumbersSources
CAS:467-79-8KEGG COMPOUND