Compound Identification
SMILES
COC1=C([NH+](O)[O-])C2=NC3=C(C)NCCC3=C2C=C1
InChIKey
InChIKey=JLQFBCOLOWVARI-UHFFFAOYSA-N
Formula
C13H15N3O3
Mass
261.281
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
Methoxyanilines Indoles and derivatives Anisoles Tetrahydropyridines Alkyl aryl ethers N-organohydroxylamines Enamines Dialkylamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harmaline - Harman - Indole or derivatives - Methoxyaniline - Anisole - Phenol ether - Alkyl aryl ether - Tetrahydropyridine - Benzenoid - Azacycle - N-organohydroxylamine - Secondary aliphatic amine - Enamine - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic zwitterion - Organic salt - 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