Compound Identification
SMILES
O=C1CC\C(=C/CCCC2NCCC3=C2NC2=CC=CC=C32)C(=O)N1
InChIKey
InChIKey=XPXRTAHEIXMAAD-WLRTZDKTSA-N
Formula
C20H23N3O2
Mass
337.423
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 3-alkylindoles Piperidinediones Aralkylamines Delta lactams Benzenoids Pyrroles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Piperidinedione - Delta-lactam - Piperidinone - Aralkylamine - Piperidine - Benzenoid - Dicarboximide - Heteroaromatic compound - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Pyrrole - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - 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