Compound Identification
SMILES
COC(=O)C1CC2=C(C(CCC(O)=O)N1CC1=CC=CC=C1)N(C)C1=CC=CC=C21
InChIKey
InChIKey=PWFSWGNUCOCART-UHFFFAOYSA-N
Formula
C24H26N2O4
Mass
406.482
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
Alpha amino acid esters Beta carbolines Indolyl carboxylic acids and derivatives 3-alkylindoles N-alkylindoles Phenylmethylamines Benzylamines Aralkylamines N-methylpyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Dicarboxylic acid or derivatives - N-methylpyrrole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Methyl ester - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen 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