Compound Identification
SMILES
CCOC(=O)C1=NC(C)=C2N(CCCCCCCCCCCN3C4=CC=CC=C4C4=CC(=NC(C)=C34)C(=O)OCC)C3=CC=CC=C3C2=C1
InChIKey
InChIKey=JYUGQHLNKLHGJK-UHFFFAOYSA-N
Formula
C41H48N4O4
Mass
660.859
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 N-alkylindoles Pyridinecarboxylic acids Indoles Methylpyridines Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Benzenoid - Substituted pyrrole - Pyridine - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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