Compound Identification
SMILES
CCCOC1=C(OC)C=C(C=C1)C1NC(CC2=C1NC1=CC=CC=C21)C(=O)OC
InChIKey
InChIKey=NWWCSUHMXMMXGJ-UHFFFAOYSA-N
Formula
C23H26N2O4
Mass
394.471
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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