Compound Identification
SMILES
COC1=CC=CC2=C1NC1=C2C(OC)=CN=C1CCC(=O)C1=NC=CC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=MSRXRROCBIUJCG-UHFFFAOYSA-N
Formula
C27H22N4O3
Mass
450.498
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 Indoles Aryl alkyl ketones Anisoles Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Indole - Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Vinylogous amide - Pyrrole - Heteroaromatic compound - Ketone - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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