Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCN[C@@H]3C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=RELZHFFZZUGYBJ-QGZVFWFLSA-N
Formula
C18H16ClN3O3
Mass
357.79
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 Anisoles Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Nitrobenzene - Indole or derivatives - Indole - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Amine - Organooxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen 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