Compound Identification
SMILES
CC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=RUONXRZHGILTKP-UHFFFAOYSA-N
Formula
C19H17N3O3
Mass
335.363
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 Nitrobenzenes Nitroaromatic compounds Aralkylamines Pyrroles Heteroaromatic compounds Alpha-amino ketones Organic oxoazanium compounds Dialkylamines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Pyrrole - Ketone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organic zwitterion - Organic oxygen 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