Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCN([C@H]3C2=CC(OC)=CC=C2)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=LLTNKOUZEUQGPL-VWLOTQADSA-N
Formula
C27H24F3N3O3
Mass
495.502
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 Trifluoromethylbenzenes 3-alkylindoles N-phenylureas Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Pyrroles Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Alkyl fluorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Trifluoromethylbenzene - N-phenylurea - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Urea - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - 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