Compound Identification
SMILES
COC1=C(OC)C=C(C(=C1)C1NCCC2=C1NC1=C(C)C=C(C)C=C21)[N+]([O-])=O
InChIKey
InChIKey=QCEJZYGEDMTOCL-UHFFFAOYSA-N
Formula
C21H23N3O4
Mass
381.432
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 Nitroaromatic compounds Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds 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 - 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 - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic oxygen compound - Organic salt - 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