Compound Identification
SMILES
CC[C@@H]1N([C@@H](CC2=C1NC1=CC=CC=C21)C([O-])=O)C(C)=O
InChIKey
InChIKey=VBIKHPNZDSUHLR-KBPBESRZSA-M
Formula
C16H17N2O3
Mass
285.324
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 N-acyl-L-alpha-amino acids 3-alkylindoles Benzenoids Tertiary carboxylic acid amides Acetamides Pyrroles Heteroaromatic compounds Carboxylic acid salts Amino acids Tertiary amines Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - N-acyl-l-alpha-amino acid - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid salt - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic anion - 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