Compound Identification
SMILES
C[C@@H]1O[C@@H](OC(CO)C(=O)C2=NC=C(C)C3=C2NC2=CC=CC=C32)[C@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=KASBSLTUMGOYEE-WAEFKPECSA-N
Formula
C21H24N2O7
Mass
416.43
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 Hexoses O-glycosyl compounds Indoles Aryl alkyl ketones Methylpyridines Oxanes Benzenoids Beta-hydroxy ketones Vinylogous amides Heteroaromatic compounds Pyrroles Secondary alcohols Oxacyclic compounds Azacyclic compounds Acetals Polyols Primary alcohols Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Aryl alkyl ketone - Aryl ketone - Methylpyridine - Beta-hydroxy ketone - Oxane - Monosaccharide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Secondary alcohol - Ketone - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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