Compound Identification
SMILES
CC(=O)N1C(=O)C2(N(CCC3=C2NC2=CC=CC=C32)C(C)=O)C2=CC=CC=C12
InChIKey
InChIKey=BWYZGKFUYHBOCC-UHFFFAOYSA-N
Formula
C22H19N3O3
Mass
373.412
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 Alpha amino acids and derivatives 3-alkylindoles N-substituted carboxylic acid imides Benzenoids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Dicarboximides Acetamides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Dicarboximide - Acetamide - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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