Compound Identification
SMILES
CCOC(=O)C(=O)C1N(CCC2=C1NC1=CC=CC=C21)C(=O)NC1=CC=CC=C1C(=O)OC
InChIKey
InChIKey=XWIUYTQYRPIWTD-UHFFFAOYSA-N
Formula
C24H23N3O6
Mass
449.463
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 3-alkylindoles Benzoic acid esters N-phenylureas Benzoyl derivatives Alpha-keto acids and derivatives Vinylogous amides Pyrroles Methyl esters Heteroaromatic compounds Ureas Ketones Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Benzoate ester - N-phenylurea - 3-alkylindole - Benzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Benzenoid - Methyl ester - Vinylogous amide - Pyrrole - Heteroaromatic compound - Urea - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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