Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1NCCC2=C1NC1=C2C=C(F)C=C1
InChIKey
InChIKey=CKFQNQDKMNPJNR-UHFFFAOYSA-N
Formula
C17H14FN3O2
Mass
311.316
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 Nitrobenzenes Nitroaromatic compounds Aralkylamines Aryl fluorides Pyrroles Heteroaromatic compounds Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organic oxides Organofluorides Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Secondary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Amine - Organic zwitterion - Organic oxygen 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