Compound Identification
SMILES
COC1=CC=CC(=C1)N1C(=O)NC(=O)C([C@H]2[NH+](C)CCC3=C2NC2=CC=CC=C32)=C1O
InChIKey
InChIKey=JOLIXTSYCITVHQ-HXUWFJFHSA-O
Formula
C23H23N4O4
Mass
419.46
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 Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aralkylamines Pyrimidones Hydroxypyrimidines Hydropyrimidines Quaternary ammonium salts Pyrroles Vinylogous acids Heteroaromatic compounds Vinylogous amides Trialkylamines Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Methoxyaniline - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Hydroxypyrimidine - Aralkylamine - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Quaternary ammonium salt - Pyrrole - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Tertiary amine - Urea - Tertiary aliphatic amine - Lactam - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - 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