Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCNC3C2=C(O)N(C(=O)NC2=O)C2=CC(Cl)=C(C)C=C2)C=C1
InChIKey
InChIKey=ZPAGJWVLQLXCFA-UHFFFAOYSA-N
Formula
C23H21ClN4O4
Mass
452.9
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 Anisoles Alkyl aryl ethers Toluenes Aralkylamines Pyrimidones Chlorobenzenes Hydroxypyrimidines Aryl chlorides Hydropyrimidines Heteroaromatic compounds Vinylogous amides Pyrroles Vinylogous acids Ureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Pyridopyrimidine - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Hydroxypyrimidine - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Pyrrole - Vinylogous acid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Ether - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - 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