Compound Identification
SMILES
COC(=O)C(C(O)O)C(CC1NCCC2=C1NC1=C2C=CC=C1)C(C=C)C=O
InChIKey
InChIKey=ABTFVYRMOPVGEM-UHFFFAOYSA-N
Formula
C21H26N2O5
Mass
386.448
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 Delta amino acids and derivatives 3-alkylindoles Aralkylamines Beta hydroxy acids and derivatives Fatty acid esters Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Carbonyl hydrates Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Aldehydes Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Delta amino acid or derivatives - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Beta-hydroxy acid - Fatty acid ester - Aralkylamine - Hydroxy acid - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Carbonyl hydrate - Carboxylic acid derivative - Secondary aliphatic amine - Organooxygen compound - Organopnictogen compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aldehyde - 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