Compound Identification
SMILES
CCC1N(CCC2=C1NC1=CC=CC=C21)C(=O)NC1=CC(SC(F)(F)F)=CC=C1
InChIKey
InChIKey=VRHPXGSQLBXUPK-UHFFFAOYSA-N
Formula
C21H20F3N3OS
Mass
419.47
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 N-phenylureas Thiophenol ethers Alkylarylthioethers Pyrroles Heteroaromatic compounds Ureas Trihalomethanes Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-phenylurea - 3-alkylindole - Indole - Indole or derivatives - Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Trihalomethane - Urea - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Alkyl halide - Organic nitrogen 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