Compound Identification
SMILES
CCOC(=O)C1(NC2(C(=O)NC3=CC=CC=C23)C2=C(C1C1=CC=CC=C1)C1=CC=CC=C1N2)C(=O)OCC
InChIKey
InChIKey=DPKYVTDKKODXMZ-UHFFFAOYSA-N
Formula
C30H27N3O5
Mass
509.562
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 Alpha amino acid amides 3-alkylindoles Indolines Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Dialkylamines Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid amide - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Dihydroindole - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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