Compound Identification
SMILES
COC1=C(CN2N=C(C)C(Cl)=C2C)C=C(C=C1)[C@H]1[NH2+]CCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=BQYWCJJQPLWGRS-HSZRJFAPSA-O
Formula
C24H26ClN4O
Mass
421.95
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 Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Quaternary ammonium salts Pyrroles Pyrazoles Heteroaromatic compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Amine - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organic cation - 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