Compound Identification
SMILES
CN1C2=CC=CC=C2C2=C1C(=NC=C2)C1=C[C@@]2(O)CC\C=C/CCCCN3CCC1[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3
InChIKey
InChIKey=ZNBAGMAUOGPTIP-VJINFRKASA-N
Formula
C37H46N4O
Mass
562.802
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 N-alkylindoles Azaspirodecane derivatives Indoles Pyridines and derivatives Piperidines N-methylpyrroles N-alkylpyrrolidines Benzenoids Tertiary alcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Azaspirodecane - N-alkylindole - Indole - Indole or derivatives - N-methylpyrrole - Piperidine - Pyridine - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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