Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1[NH2+]CCC2=C1NC1=C2C=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=JEFOPNKBVLVYKF-UHFFFAOYSA-O
Formula
C26H27N2O3
Mass
415.512
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 Dimethoxybenzenes 3-alkylindoles Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Quaternary ammonium salts Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole - Indole or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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