Compound Identification
SMILES
COC1=CC2=C(NC3=C2CC[NH2+][C@@H]3C2=C(O)N(C3CC3)C(=S)NC2=O)C=C1
InChIKey
InChIKey=ORPMCKAUIJLIMF-MRXNPFEDSA-O
Formula
C19H21N4O3S
Mass
385.46
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 Anisoles 2-Thiopyrimidines Alkyl aryl ethers Aralkylamines Hydroxypyrimidines Pyrimidinethiones Pyrimidones Hydropyrimidines Vinylogous acids Heteroaromatic compounds Vinylogous amides Pyrroles Quaternary ammonium salts Lactams Thioureas Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Hydroxypyrimidine - Pyrimidinethione - Pyrimidone - Aralkylamine - Pyrimidine - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Vinylogous amide - Vinylogous acid - Thiourea - Lactam - Secondary amine - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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