Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1C1NCCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=YPISCYOVKKTIFG-UHFFFAOYSA-N
Formula
C18H15N3O4
Mass
337.335
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 Benzodioxoles Nitroaromatic compounds Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Benzodioxole - Indole - Indole or derivatives - Nitroaromatic compound - Aralkylamine - Benzenoid - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Acetal - Organic oxoazanium - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organopnictogen compound - Amine - Organic zwitterion - 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