Compound Identification
SMILES
OC1=CC=CC2=C1NC1=C2C=CN=C1C1=C[C@@]2(O)CC\C=C/CCCCN3CC[C@@H]1[C@]1(CC4CCC(=O)CCCN4C21)C3
InChIKey
InChIKey=KYLZDBBEWRTKTG-ATHJRXKVSA-N
Formula
C36H44N4O3
Mass
580.773
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 Azaspirodecane derivatives Hydroxyindoles Indoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Piperidines N-alkylpyrrolidines Heteroaromatic compounds Pyrroles Tertiary alcohols Cyclic ketones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Azaspirodecane - Hydroxyindole - Indole - Indole or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperidine - Benzenoid - Pyridine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary alcohol - Tertiary aliphatic amine - Cyclic ketone - Ketone - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - 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