Compound Identification
SMILES
OC(C(O)C(O)=O)C(O)=O.CC1=CC2=C(NC3=C2CCNC3CC2CCCCC2)C=C1
InChIKey
InChIKey=KKWOLZHSJVZAOF-UHFFFAOYSA-N
Formula
C23H32N2O6
Mass
432.517
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 Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Benzenoids Monosaccharides Dicarboxylic acids and derivatives Fatty acids and conjugates Pyrroles Heteroaromatic compounds 1,2-diols Secondary alcohols Carboxylic acids Dialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Beta-hydroxy acid - Aralkylamine - Sugar acid - Short-chain hydroxy acid - Monosaccharide - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Benzenoid - Hydroxy acid - Heteroaromatic compound - Pyrrole - Secondary alcohol - 1,2-diol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - 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