Compound Identification
SMILES
COC(=O)C1=NC(=C2NC3=CC=CC=C3C2=C1)C1=C(OC)C=C(OC)C=C1
InChIKey
InChIKey=GEIKMDZCEOFNAC-UHFFFAOYSA-N
Formula
C21H18N2O4
Mass
362.385
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 Phenylpyridines Dimethoxybenzenes Pyridinecarboxylic acids Indoles Phenoxy compounds Anisoles Alkyl aryl ethers Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 2-phenylpyridine - Dimethoxybenzene - M-dimethoxybenzene - Indole - Indole or derivatives - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - 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