Compound Identification
SMILES
Cl.COC(=O)C1CC2=C(NC3=CC=CC=C23)C(CC(C)C)N1
InChIKey
InChIKey=AMHPROCTEFVFQH-UHFFFAOYSA-N
Formula
C17H23ClN2O2
Mass
322.83
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 Aralkylamines Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Dialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrochlorides
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 - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Secondary aliphatic amine - Hydrochloride - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Amine - 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