Compound Identification
SMILES
NC1=CC=CC2=C1NC1=C2C=CN=C1C1=CC=CC=C1
InChIKey
InChIKey=BMYUOTBGDLDCDG-UHFFFAOYSA-N
Formula
C17H13N3
Mass
259.312
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 Phenylpyridines Indoles Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 2-phenylpyridine - Indole - Indole or derivatives - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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