Compound Identification
SMILES
CCC1N(CCC2=C1NC1=CC=CC=C21)S(=O)(=O)C1=C(OC)C=CC(Br)=C1
InChIKey
InChIKey=QHLVWEYREUBRPY-UHFFFAOYSA-N
Formula
C20H21BrN2O3S
Mass
449.36
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Bromobenzenes Organosulfonamides Aryl bromides Sulfonyls Pyrroles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Benzenesulfonamide - Indole or derivatives - Indole - Benzenesulfonyl group - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Aryl bromide - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen 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