Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=S)NC(=O)C(C2NCCC3=C2NC2=CC=CC=C32)=C1O
InChIKey
InChIKey=IVLSLKMZRWGKQL-UHFFFAOYSA-N
Formula
C22H20N4O3S
Mass
420.49
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 Pyridopyrimidines Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Aralkylamines Hydroxypyrimidines Pyrimidones Pyrimidinethiones Hydropyrimidines Heteroaromatic compounds Vinylogous acids Pyrroles Vinylogous amides Thioureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Pyridopyrimidine - 3-alkylindole - Indole - Indole or derivatives - Methoxyaniline - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Hydroxypyrimidine - 2-thiopyrimidine - Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Hydropyrimidine - Vinylogous amide - Pyrrole - Vinylogous acid - Heteroaromatic compound - Thiourea - Lactam - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - 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