Compound Identification
SMILES
CCC1N(CCC2=C1NC1=CC=CC=C21)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=SFPKNSAVARANFX-UHFFFAOYSA-N
Formula
C20H20N2O4S
Mass
384.45
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 Benzoic acids Benzoyl derivatives Organosulfonamides Sulfonyls Pyrroles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Benzenesulfonamide - 3-alkylindole - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Indole - Indole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur 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