Compound Identification
SMILES
CC1=CC(C)=C(C=C1)N1C(=S)NC(=O)C(C2NCCC3=C2NC2=CC=CC=C32)=C1O
InChIKey
InChIKey=ZEABXAFGVRHBKJ-UHFFFAOYSA-N
Formula
C23H22N4O2S
Mass
418.52
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 Pyridopyrimidines 3-alkylindoles m-Xylenes 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Aralkylamines Hydroxypyrimidines Hydropyrimidines Vinylogous amides Vinylogous acids Pyrroles Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Dialkylamines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Pyridopyrimidine - 3-alkylindole - Indole or derivatives - Indole - M-xylene - Xylene - Pyrimidinethione - Aralkylamine - Thiopyrimidine - 2-thiopyrimidine - Pyrimidone - Hydroxypyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Pyrrole - Lactam - Thiourea - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen 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