Compound Identification
SMILES
CC1OC(OC(CO)C(=O)C2=NC=C(C)C3=C2NC2=CC=CC=C32)C(O)C(O)C1O
InChIKey
InChIKey=KASBSLTUMGOYEE-UHFFFAOYSA-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 Benzenoids Beta-hydroxy ketones Oxanes Pyrroles Heteroaromatic compounds Vinylogous amides Secondary alcohols Azacyclic compounds Polyols Acetals Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Aryl ketone - Aryl alkyl ketone - Methylpyridine - Beta-hydroxy ketone - Monosaccharide - Oxane - Pyridine - Benzenoid - Vinylogous amide - Pyrrole - Heteroaromatic compound - Secondary alcohol - Ketone - Azacycle - Organoheterocyclic compound - Polyol - Acetal - Oxacycle - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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