Compound Identification
SMILES
OC1CCCCN2CCC3C(=CC(O)(CC=C1)C1N4CCCCC=CC4CC31C2)c1nccc2c3ccccc3[nH]c12
InChIKey
InChIKey=MEENDJHJWGTWGE-UHFFFAOYSA-N
Formula
C36H44N4O2
Mass
564.774
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 Indoles Pyridines and derivatives Piperidines N-alkylpyrrolidines Benzenoids Tertiary alcohols Pyrroles Heteroaromatic compounds Trialkylamines Secondary alcohols Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Azaspirodecane - Indole - Indole or derivatives - Piperidine - Pyridine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary alcohol - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Organoheterocyclic compound - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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