Compound Identification
SMILES
COC1=C(C2=C(C=C1)C1=C(N2)C(C)NCC1)[N+]([O-])=O
InChIKey
InChIKey=ZJUAZKYJLHSFBQ-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
Beta carbolines 3-alkylindoles Methoxyanilines Anisoles Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylamines Organic salts Organic oxides Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harmaline - Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Methoxyaniline - Anisole - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Ether - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Amine - Organic oxide - Hydrocarbon derivative - 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