Compound Identification
SMILES
COC1=CC2=C(NC3=C2CCNC3C2=C(O)N(C(=O)NC2=O)C2=CC=C(I)C=C2)C=C1
InChIKey
InChIKey=GIWSNTUCQCUYHE-UHFFFAOYSA-N
Formula
C22H19IN4O4
Mass
530.322
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 Anisoles Pyrimidones Iodobenzenes Hydroxypyrimidines Aralkylamines Alkyl aryl ethers Hydropyrimidines Aryl iodides Vinylogous amides Vinylogous acids Pyrroles Heteroaromatic compounds Ureas Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 3-alkylindole - Pyridopyrimidine - Indole or derivatives - Indole - Anisole - Hydroxypyrimidine - Aralkylamine - Pyrimidone - Iodobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - Pyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Pyrrole - Urea - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - 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