Compound Identification
SMILES
COC(=O)C1=NC=C(OC)C2=C1NC1=C2C=CC=C1OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=ZFRKSFFIKMQUNN-UHFFFAOYSA-N
Formula
C21H18N2O6S
Mass
426.44
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 p-Methylbenzenesulfonates 5-alkoxy-2-carboxypyrimidines Benzenesulfonate esters Tosyl compounds Arylsulfonic acids and derivatives Benzenesulfonyl compounds Indoles Alkyl aryl ethers Organosulfonic acid esters Methyl esters Vinylogous amides Heteroaromatic compounds Pyrroles Sulfonyls Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 5-alkoxy-2-carboxypyrimidine - P-methylbenzenesulfonate - Benzenesulfonate ester - Benzenesulfonate - Tosyl compound - Indole - Indole or derivatives - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Toluene - Benzenoid - Organosulfonic acid ester - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Pyrrole - Organic sulfonic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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