Compound Identification
SMILES
ClC1=CC=CC(=C1)N1CCN(CC(=O)N2CCC3=C(NC4=CC=CC=C34)C22CCN(CC3=CC=CC=C3)CC2)CC1
InChIKey
InChIKey=HLYQYNMKLZYEPD-UHFFFAOYSA-N
Formula
C34H38ClN5O
Mass
568.16
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 N-benzylpiperidines N-arylpiperazines Phenylpiperazines N-piperazineacetamides 3-alkylindoles Alpha amino acids and derivatives Benzylamines Dialkylarylamines Aniline and substituted anilines Phenylmethylamines Chlorobenzenes Aralkylamines N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - N-benzylpiperidine - Pyridoindole - Benzylpiperidine - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Aniline or substituted anilines - Phenylmethylamine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Piperazine - Piperidine - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen 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