CHEBI:2536 - alangimarckine

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ChEBI Name alangimarckine
ChEBI ID CHEBI:2536
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H37N3O3
Net Charge 0
Average Mass 475.62240
Monoisotopic Mass 475.28349
InChI InChI=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
InChIKey BZIKDLPHKDIUHH-PCYHDRSOSA-N
SMILES CC[C@H]1CN2CCc3c(O)c(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2c1[nH]c1ccccc21
Metabolite of Species Details
Alangium (NCBI:txid16896) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing alangimarckine (CHEBI:2536) has functional parent tubulosan (CHEBI:36379)
alangimarckine (CHEBI:2536) has role plant metabolite (CHEBI:76924)
alangimarckine (CHEBI:2536) is a β-carbolines (CHEBI:60834)
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)
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 Sources
(−)-alangimarckine ChEBI
Alangimarckine KEGG COMPOUND
Manual Xrefs Databases
C00001796 KNApSAcK
C09328 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
13849-53-1 CAS Registry Number KEGG COMPOUND
772265 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12150812 PubMed citation Europe PMC
Last Modified
02 February 2015