Compound Identification
SMILES
O=C1CCCN2[C@H]3[C@@]45C[C@@]2(CC1)O[C@@]31CC\C=C/CCCCN(CCC4C(=C1)C1=NC=CC2=C1NC1=CC=CC=C21)C5
InChIKey
InChIKey=XYMOBPPDZDVIQE-JUXCJWJFSA-N
Formula
C36H42N4O2
Mass
562.758
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 Benzenoids Pyridines and derivatives Piperidines Oxanes N-alkylpyrrolidines Pyrroles Oxazolidines Heteroaromatic compounds Hemiaminals Cyclic ketones Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Azaspirodecane - Indole - Indole or derivatives - Oxane - Benzenoid - N-alkylpyrrolidine - Piperidine - Pyridine - Heteroaromatic compound - Oxazolidine - Pyrrolidine - Pyrrole - Hemiaminal - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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