Compound Identification
SMILES
COC(=O)C1CC2=C(NC3=C2C=C(C=C3)[N+]([O-])=O)C(C)N1N=O
InChIKey
InChIKey=IKTLBDPHWJHKRH-UHFFFAOYSA-N
Formula
C14H14N4O5
Mass
318.289
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 Alpha amino acid esters 3-alkylindoles Nitroaromatic compounds Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Organic N-nitroso compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Alpha-amino acid ester - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Nitroaromatic compound - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Organic n-nitroso compound - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Organic nitroso compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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