Compound Identification
SMILES
COC1=CC2=C(NC3=C2CC[NH2+]C32CCC(CC2)C(C)(C)C)C=C1
InChIKey
InChIKey=LSVYUUDFHWHORL-UHFFFAOYSA-O
Formula
C21H31N2O
Mass
327.491
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 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 - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Quaternary ammonium salt - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - 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