Compound Identification
SMILES
CCOC1=CC(C)=C(Cl)C=C1C1NC(CC2=C1NC1=CC=CC=C21)C(=O)OC
InChIKey
InChIKey=SBJKHCXHEDOIRJ-UHFFFAOYSA-N
Formula
C22H23ClN2O3
Mass
398.89
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 Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Alpha-amino acid ester - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Aralkylamine - Chlorobenzene - Halobenzene - Alkyl aryl ether - Toluene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Secondary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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