Compound Identification
SMILES
COC(=O)C(=CO)[C@@H](C[C@@H]1NCCC2=C1NC1=CC=CC=C21)[C@@H](C=C)C=O
InChIKey
InChIKey=ZNZYKNKBJPZETN-AXHNFQJDSA-N
Formula
C21H24N2O4
Mass
368.433
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 Vinylogous acids Pyrroles Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Enols Dialkylamines Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Fatty acid ester - Aralkylamine - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Enol - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aldehyde - 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