Compound Identification
SMILES
COC(=O)[C@@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1CC1=CC=CC(=C1)C#N)C1=C(Cl)C(Cl)=CC=C1
InChIKey
InChIKey=IQDVNTIWTUBOLF-JYFHCDHNSA-N
Formula
C27H21Cl2N3O2
Mass
490.38
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
Alpha amino acid esters Beta carbolines 3-alkylindoles Phenylmethylamines Benzonitriles Benzylamines Dichlorobenzenes Aralkylamines Aryl chlorides Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Monocarboxylic acids and derivatives Nitriles Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - 1,2-dichlorobenzene - Benzylamine - Phenylmethylamine - Benzonitrile - Halobenzene - Chlorobenzene - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organochloride - Organohalogen compound - Cyanide - Organic oxide - 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