Compound Identification
SMILES
CCOC1=C(C)C=C(Cl)C=C1C1NCCC2=C1NC1=C2C=C(F)C=C1
InChIKey
InChIKey=SMVHAPVWAXYYPX-UHFFFAOYSA-N
Formula
C20H20ClFN2O
Mass
358.84
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 Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Aryl fluorides Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl chloride - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Ether - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - 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