Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(N2CC2=CC=C(C=C2)[N+]([O-])=O)C(C)=NC=C1
InChIKey
InChIKey=NSSPMQBZXBBGGE-UHFFFAOYSA-N
Formula
C20H17N3O3
Mass
347.374
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 Indoles Nitrobenzenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Methylpyridines Substituted pyrroles Heteroaromatic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - N-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Anisole - Nitroaromatic compound - Phenol ether - Methylpyridine - Alkyl aryl ether - Substituted pyrrole - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Ether - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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