Compound Identification
SMILES
CCOC1=CC(C)=C(Cl)C=C1C1NCCC2=C1NC1=C2C=C(Cl)C=C1
InChIKey
InChIKey=XRSPDGUDMKFGPC-UHFFFAOYSA-N
Formula
C20H20Cl2N2O
Mass
375.29
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 Phenoxy compounds Phenol ethers Toluenes Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Toluene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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