CHEBI:28172 - harmaline

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ChEBI Name harmaline
ChEBI ID CHEBI:28172
Definition A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5621, CHEBI:24475
Supplier Information
Download Molfile XML SDF
Formula C13H14N2O
Net Charge 0
Average Mass 214.26310
Monoisotopic Mass 214.111
InChI InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3
InChIKey RERZNCLIYCABFS-UHFFFAOYSA-N
SMILES COc1ccc2c3CCN=C(C)c3[nH]c2c1
Roles Classification
Biological Role(s): 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 harmaline (CHEBI:28172) has parent hydride harman (CHEBI:5623)
harmaline (CHEBI:28172) is a harmala alkaloid (CHEBI:61379)
IUPAC Name
7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole
Synonyms Sources
3,4-Dihydroharmine ChEBI
7-methoxy-1-methyl-4,9-dihydro-3H-β-carboline IUPAC
Armalin ChEBI
Dihydroharmine ChEBI
harmalin ChEBI
Harmaline KEGG COMPOUND
Harmalol methyl ether ChEBI
Harmidine ChEBI
O-Methylharmalol ChEBI
Manual Xrefs Databases
C00001735 KNApSAcK
C06536 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
207310 Reaxys Registry Number Reaxys
207310 Beilstein Registry Number ChemIDplus
304-21-2 CAS Registry Number KEGG COMPOUND
304-21-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
28 July 2014