Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C1NCCC2=C1NC1=C2C=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=IUZWQGLAHNORPS-UHFFFAOYSA-N
Formula
C19H18FN3O4
Mass
371.368
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 Nitrophenyl ethers 3-alkylindoles Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Aralkylamines Aryl fluorides Pyrroles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylamines Organofluorides Organic zwitterions Organic oxides Organic salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Nitrophenyl ether - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Nitrobenzene - Methoxyaniline - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Nitroaromatic compound - Aralkylamine - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic salt - Hydrocarbon derivative - Amine - Organic zwitterion - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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