Compound Identification
SMILES
COC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@@H](N1CCNC1=C2C=CC(Cl)=CC2=NC=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=JMLWCBSCGWGRCK-DGPALRBDSA-N
Formula
C31H29ClN4O2
Mass
525.05
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 Toluenes Secondary alkylarylamines Aminopyridines and derivatives Aralkylamines Aryl chlorides Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Pyridoindole - Beta-carboline - 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminoquinoline - Quinoline - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Aminopyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrrole - Methyl ester - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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