Compound Identification
SMILES
BrC1=CN=CC(=C1)C(=O)N1CCC2=C(NC3=CC=CC=C23)C1=C
InChIKey
InChIKey=NSOSTPVYQRGFKP-UHFFFAOYSA-N
Formula
C18H14BrN3O
Mass
368.234
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines 3-alkylindoles Pyridinecarboxylic acids and derivatives Benzenoids Aryl bromides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Pyridine carboxylic acid or derivatives - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
External Descriptors
Not available