Compound Identification
SMILES
CCOC(=O)C[C@@]1(CC)N[C@@H]([C@H](C2=C1NC1=CC=CC=C21)C1=CC=CC=C1)C(=O)OCC
InChIKey
InChIKey=ZKGUEZBSAVUVCI-RZPFDVGOSA-N
Formula
C26H30N2O4
Mass
434.536
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 Alpha amino acid esters 3-alkylindoles Fatty acid esters Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Carboxylic acid esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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