Compound Identification
SMILES
NCCC(=O)N1CCC2=C(NC3=C2C=C(OC(F)(F)F)C=C3)C1C1=CC(O)=CC=C1
InChIKey
InChIKey=FHAFMTSUGDDCSE-UHFFFAOYSA-N
Formula
C21H20F3N3O3
Mass
419.404
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 Beta amino acids and derivatives 3-alkylindoles Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Hydrocarbon derivatives Organofluorides Alkyl fluorides Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Beta amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Trihalomethane - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Primary amine - Organohalogen compound - Primary aliphatic amine - Hydrocarbon derivative - Halomethane - Amine - Organofluoride - Alkyl halide - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen 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