Compound Identification
SMILES
ClC1=CC2=C(NC3=C2CCNC3C2=CC=CC=C2I)C=C1
InChIKey
InChIKey=AFHBGKFTGQAHNS-UHFFFAOYSA-N
Formula
C17H14ClIN2
Mass
408.67
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 Iodobenzenes Aralkylamines Aryl iodides Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen 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