Compound Identification
SMILES
[Na+].CC1=C2N(CCCC3=CC=CC=C3)C3=CC=CC=C3C2=CC(=N1)C([O-])=O
InChIKey
InChIKey=MPDXLTDMKIZKQH-UHFFFAOYSA-M
Formula
C22H19N2NaO2
Mass
366.396
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 N-alkylindoles Pyridinecarboxylic acids Indoles Methylpyridines Substituted pyrroles Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Organic sodium salts Organooxygen compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-alkylindole - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Methylpyridine - Monocyclic benzene moiety - Pyridine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - 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