Compound Identification
SMILES
CC1=NC=CC2=C1N(N=O)C1=CC=CC=C21
InChIKey
InChIKey=PEGLIYCYNNJUEB-UHFFFAOYSA-N
Formula
C12H9N3O
Mass
211.224
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 Indoles Methylpyridines Substituted pyrroles Benzenoids Heteroaromatic compounds Organic nitrosamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Indole - Indole or derivatives - Methylpyridine - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Organic n-nitroso compound - Organic nitrosamine - Organic nitroso compound - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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