Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CCCCC1(CCCC)N[C@H](CC2=C1NC1=CC=CC=C21)C1=NC=C(N1)C1=CC=CC=C1
InChIKey
InChIKey=CTFHXYLKADFTKD-ZHWJIHCSSA-N
Formula
C32H38N4O4
Mass
542.68
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 Phenylimidazoles 3-alkylindoles Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Harman - Beta-carboline - Pyridoindole - 5-phenylimidazole - 4-phenylimidazole - 3-alkylindole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Fatty acid - Unsaturated fatty acid - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Azole - Pyrrole - Heteroaromatic compound - Imidazole - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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