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CHEBI:2536 - alangimarckine

ChEBI IDCHEBI:2536
ChEBI Namealangimarckine
Stars
DefinitionA member of the class of β-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 as well as a hydroxy group at position 9.
Last Modified2 February 2015
DownloadsMolfile
FormulaC29H37N3O3
Net Charge0
Average Mass475.633
Monoisotopic Mass475.28349
SMILES[H][C@]1(C[C@@]2([H])NCCc3c2nc2ccccc32)C[C@@]2([H])c3cc(OC)c(OC)c(O)c3CCN2C[C@@H]1CC
InChIInChI=1S/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1
InChIKeyBZIKDLPHKDIUHH-PCYHDRSOSA-N
Species of MetaboliteComponentSourceComments
Alangium (ncbitaxon:16896) - PubMed (12150812)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
alangimarckine (CHEBI:2536) has functional parent tubulosan (CHEBI:36379)
alangimarckine (CHEBI:2536) has role plant metabolite (CHEBI:76924)
alangimarckine (CHEBI:2536) is a aromatic ether (CHEBI:35618)
alangimarckine (CHEBI:2536) is a isoquinoline alkaloid (CHEBI:24921)
alangimarckine (CHEBI:2536) is a isoquinolines (CHEBI:24922)
alangimarckine (CHEBI:2536) is a phenols (CHEBI:33853)
alangimarckine (CHEBI:2536) is a secondary amino compound (CHEBI:50995)
alangimarckine (CHEBI:2536) is a tertiary amino compound (CHEBI:50996)
alangimarckine (CHEBI:2536) is a β-carbolines (CHEBI:60834)
IUPAC Names 
(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[(R)-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-8-ol
10,11-dimethoxytubulosan-9-ol
Synonyms  Source
AlangimarckineKEGG COMPOUND
(−)-alangimarckineChEBI
Manual XrefsDatabases
C09328KEGG COMPOUND
C00001796KNApSAcK
Registry NumbersSources
Reaxys:772265Reaxys
CAS:13849-53-1KEGG COMPOUND
Citations