Compound Identification
SMILES
COC1=C(C2NCCC3=C2NC2=CC=CC=C32)C(=O)N(C)C(=O)N1C
InChIKey
InChIKey=VXUBYWHHRBIXKX-UHFFFAOYSA-N
Formula
C18H20N4O3
Mass
340.383
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 Pyridopyrimidines Alkyl aryl ethers Aralkylamines Pyrimidones Benzenoids Hydropyrimidines Vinylogous amides Heteroaromatic compounds Pyrroles Vinylogous esters Ureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Alkyl aryl ether - Pyrimidone - Aralkylamine - Benzenoid - Pyrimidine - Hydropyrimidine - Pyrrole - Vinylogous ester - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen 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