Compound Identification
SMILES
Cl.CCN1C2=C(C=CC(OCC3=C(F)C(F)=C(F)C(F)=C3F)=C2)C2=C1C(C)=NC=C2
InChIKey
InChIKey=BWWARGJDYBMJPX-UHFFFAOYSA-N
Formula
C21H16ClF5N2O
Mass
442.81
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 N-alkylindoles Indoles Phenol ethers Methylpyridines Fluorobenzenes Alkyl aryl ethers Substituted pyrroles Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - Indole or derivatives - Indole - Phenol ether - Alkyl aryl ether - Methylpyridine - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Substituted pyrrole - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen 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