Compound Identification
SMILES
COC(=O)C1CC2=C(NC3=CC=CC=C23)C(C)(C)N1
InChIKey
InChIKey=BCECOYNVQCXLBN-UHFFFAOYSA-N
Formula
C15H18N2O2
Mass
258.321
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 Alpha amino acid esters 3-alkylindoles Aralkylamines Benzenoids Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen 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