Compound Identification
SMILES
BrC1=CC=CC=C1C(=O)C1=NC=CC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=BYPDPRDQBHGPRY-UHFFFAOYSA-N
Formula
C18H11BrN2O
Mass
351.203
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
Aryl-phenylketones Beta carbolines Indoles Pyridinecarboxylic acids and derivatives Benzoyl derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Vinylogous amides Vinylogous halides Pyrroles Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Aryl-phenylketone - Indole - Indole or derivatives - Pyridine carboxylic acid or derivatives - Aryl ketone - Benzoyl - Bromobenzene - Halobenzene - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Vinylogous amide - Vinylogous halide - Pyrrole - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen 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