Compound Identification
SMILES
COC1=CC2=C(C=C1)N(CC1=CC=CC=C1)C1=C2C[C@H](N([C@@H]1CC12CC3CC(CC(C3)C1)C2)C(C)=O)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=YKSXIFVBWLTXOK-UHSQHHIKSA-N
Formula
C40H44N2O4
Mass
616.802
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 3-alkylindoles Benzyloxycarbonyls N-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Acetamides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Benzyloxycarbonyl - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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