Compound Identification
SMILES
COC(=O)c1cc2c3ccccc3[nH]c2c(n1)C1Nc2ccccc2C(=O)N1c1ccccc1
InChIKey
InChIKey=HSPXZMZOPUUVDN-UHFFFAOYSA-N
Formula
C27H20N4O3
Mass
448.482
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 Quinazolines Indoles Pyridinecarboxylic acids Secondary alkylarylamines Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Methyl esters Lactams Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Diazanaphthalene - Quinazoline - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Monocyclic benzene moiety - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Lactam - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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