Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)NC(=O)C(C2NCCC3=C2NC2=CC=CC=C32)=C1O
InChIKey
InChIKey=WLOMFADBFDZNAW-UHFFFAOYSA-N
Formula
C22H20N4O4
Mass
404.426
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 Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Pyrimidones Alkyl aryl ethers Aralkylamines Hydroxypyrimidines Hydropyrimidines Vinylogous acids Heteroaromatic compounds Vinylogous amides Pyrroles 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 - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Hydroxypyrimidine - Aralkylamine - Pyrimidone - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Pyrrole - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Urea - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen 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