Compound Identification
SMILES
ClCC(=O)N1CCC2=C(NC3=CC=CC=C23)C11CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=KVJNDJQQKLKFLC-UHFFFAOYSA-N
Formula
C24H26ClN3O
Mass
407.94
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
N-benzylpiperidines Beta carbolines 3-alkylindoles Phenylmethylamines Benzylamines Aralkylamines Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Chloroacetamides Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Alkyl chlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - N-benzylpiperidine - Pyridoindole - Benzylpiperidine - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Chloroacetamide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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