Compound Identification
SMILES
COC(=O)CC[C@@H]1N([C@@H](CC2=C1N(C)C1=CC=CC=C21)C(=O)OC)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=ACAPUHVITHFKLE-VXKWHMMOSA-N
Formula
C26H28N2O6
Mass
464.518
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 Benzyloxycarbonyls N-alkylindoles Fatty acid esters Dicarboxylic acids and derivatives N-methylpyrroles Heteroaromatic compounds Carbamate esters Methyl esters Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - N-alkylindole - Benzyloxycarbonyl - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - N-methylpyrrole - Dicarboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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