Compound Identification
SMILES
O[C@@]12CCC=CCCCCN3CC[C@@H](C(=C1)C1=NC=CC4=C1NC1=CC=CC=C41)[C@]1(CC4CCC(=O)CCCN4C21)C3
InChIKey
InChIKey=LTHULOBARTYAMF-SPHBWARJSA-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 Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Azaspirodecane - Indole - Indole or derivatives - Piperidine - Pyridine - N-alkylpyrrolidine - Benzenoid - Tertiary alcohol - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - 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