Compound Identification
SMILES
CCC1=CC=C(C=C1)[C@H]1N(CCCNC2=C3C=CC(Cl)=CC3=NC=C2)[C@H](CC2=C1NC1=CC=CC=C21)C(=O)OC
InChIKey
InChIKey=CWSMPYQZXVYLHM-XLJNKUFUSA-N
Formula
C33H33ClN4O2
Mass
553.1
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 4-aminoquinolines Chloroquinolines 3-alkylindoles Secondary alkylarylamines Aminopyridines and derivatives Aralkylamines Aryl chlorides Benzene and substituted derivatives Methyl esters Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Pyridoindole - Beta-carboline - 4-aminoquinoline - Haloquinoline - Aminoquinoline - Chloroquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole or derivatives - Indole - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl chloride - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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