Compound Identification
SMILES
COC(=O)C(C(O)C=C)C1N(CCC2=C1N(C1=CC=CC=C21)S(=O)(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C
InChIKey
InChIKey=FVCBTYLWKJXBFL-UHFFFAOYSA-N
Formula
C28H32N2O7S
Mass
540.63
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 Benzenesulfonamides Benzenesulfonyl compounds Beta hydroxy acids and derivatives Fatty acid esters Substituted pyrroles Sulfonyls Organosulfonic acids and derivatives Carbamate esters Heteroaromatic compounds Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Benzenesulfonamide - 3-alkylindole - Benzenesulfonyl group - Indole - Indole or derivatives - Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Substituted pyrrole - Benzenoid - Organic sulfonic acid or derivatives - Methyl ester - Pyrrole - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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