Compound Identification
SMILES
CCOC(=O)[C@H]1CC2=C(NC3=CC=CC=C23)[C@@H](CCC(=O)OC)N1CC1=CC=CC=C1
InChIKey
InChIKey=PLJWMVJOMCFRAO-FGZHOGPDSA-N
Formula
C25H28N2O4
Mass
420.509
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 Phenylmethylamines Benzylamines Aralkylamines Fatty acid esters Dicarboxylic acids and derivatives Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
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 - Benzylamine - Phenylmethylamine - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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