Compound Identification
SMILES
OC1=C(C2NCCC3=C2NC2=CC=CC=C32)C(=O)N(N1C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=OABKMJHZJDDEJC-UHFFFAOYSA-N
Formula
C26H22N4O2
Mass
422.488
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 Phenylpyrazoles 3-alkylindoles Aralkylamines Benzene and substituted derivatives Pyrazolones Heteroaromatic compounds Pyrroles Vinylogous amides Vinylogous acids Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Phenylpyrazole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrazolinone - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Azole - Pyrrole - Pyrazole - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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