Compound Identification
SMILES
COC1=C(Cl)C=C2C(NC3=C2C=CN=C3C)=C1Cl
InChIKey
InChIKey=OERVPYKUJTXIDB-UHFFFAOYSA-N
Formula
C13H10Cl2N2O
Mass
281.14
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 Anisoles Methylpyridines Alkyl aryl ethers Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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