Compound Identification
SMILES
C[NH+]1CCC2=C(NC3=CC=CC=C23)[C@H]1C1=C(O)N(C(=O)NC1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=URZQJFYOIYQCBR-LJQANCHMSA-O
Formula
C22H20FN4O3
Mass
407.425
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 Aralkylamines Fluorobenzenes Pyrimidones Hydroxypyrimidines Aryl fluorides Hydropyrimidines Vinylogous amides Vinylogous acids Quaternary ammonium salts Heteroaromatic compounds Pyrroles Trialkylamines Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Fluorobenzene - Halobenzene - Hydroxypyrimidine - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Quaternary ammonium salt - Pyrrole - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Organoheterocyclic compound - Azacycle - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Organohalogen 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