Compound Identification
SMILES
COC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@H](N1)C1=C[C@@]2(O)CC\C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3
InChIKey
InChIKey=BQIVPPWUXSHORF-AYHCYGQWSA-N
Formula
C38H50N4O3
Mass
610.843
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
Alpha amino acid esters Beta carbolines 3-alkylindoles Azaspirodecane derivatives Aralkylamines Piperidines Benzenoids N-alkylpyrrolidines Heteroaromatic compounds Tertiary alcohols Methyl esters Pyrroles Trialkylamines Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - Azaspirodecane - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Piperidine - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Organonitrogen 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