Compound Identification
SMILES
CCOC(=O)C(=CCC1NCCC2=C1NC1=CC=CC=C21)C(=O)OCC
InChIKey
InChIKey=WIAOWEBANMPIHM-UHFFFAOYSA-N
Formula
C20H24N2O4
Mass
356.422
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 Aralkylamines Fatty acid esters Benzenoids Dicarboxylic acids and derivatives Enoate esters Pyrroles Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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