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CHEBI:9775 - tubulosine

ChEBI IDCHEBI:9775
ChEBI Nametubulosine
Stars
DefinitionA member of the class of β-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 and a hydroxy group at the 8' position.
Last Modified2 February 2015
DownloadsMolfile
FormulaC29H37N3O3
Net Charge0
Average Mass475.633
Monoisotopic Mass475.28349
SMILES[H][C@]1(C[C@@]2([H])NCCc3c2nc2ccc(O)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC
InChIInChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
InChIKeyJRVWIILYWSBUMC-PRUVNFMMSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
tubulosine (CHEBI:9775) has parent hydride tubulosan (CHEBI:36379)
tubulosine (CHEBI:9775) is a isoquinoline alkaloid (CHEBI:24921)
tubulosine (CHEBI:9775) is a isoquinolines (CHEBI:24922)
tubulosine (CHEBI:9775) is a phenols (CHEBI:33853)
tubulosine (CHEBI:9775) is a secondary amino compound (CHEBI:50995)
tubulosine (CHEBI:9775) is a tertiary amino compound (CHEBI:50996)
tubulosine (CHEBI:9775) is a β-carbolines (CHEBI:60834)
IUPAC Name 
10,11-dimethoxytubulosan-8'-ol
Synonym  Source
TubulosineKEGG COMPOUND
Manual XrefsDatabases
C09248KEGG COMPOUND
C00001778KNApSAcK
Registry NumbersSources
Reaxys:772464Reaxys
CAS:2632-29-3KEGG COMPOUND
CAS:2632-29-3ChemIDplus
Citations