Compound Identification
SMILES
COC(=O)C(CCC1NCCC2=C1NC1=CC=CC=C21)(SC1=CC=CC=C1)SC1=CC=CC=C1
InChIKey
InChIKey=QOSJCKSNRRQAGQ-UHFFFAOYSA-N
Formula
C28H28N2O2S2
Mass
488.66
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 Delta amino acids and derivatives 3-alkylindoles Thiophenol ethers Alkylarylthioethers Aralkylamines Dithioketals Fatty acid esters Benzene and substituted derivatives Methyl esters Pyrroles Heteroaromatic compounds Dialkylamines Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Delta amino acid or derivatives - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Aryl thioether - Thiophenol ether - Dithioketal - Fatty acid ester - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Thioacetal - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Thioether - Secondary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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