Compound Identification
SMILES
[2H][C@@]1(N(CC(C)(C)F)[C@H](C)CC2=C1NC1=CC=CC=C21)C1=C(F)C=C(\C=C\C(O)=O)C=C1F
InChIKey
InChIKey=DFBDRVGWBHBJNR-OHPOHGLYSA-N
Formula
C25H25F3N2O2
Mass
443.488
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 Cinnamic acids 3-alkylindoles Styrenes Aralkylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Pyrroles Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Cinnamic acid or derivatives - Cinnamic acid - 3-alkylindole - Indole or derivatives - Indole - Styrene - Aralkylamine - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Pyrrole - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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