Compound Identification
SMILES
COC1=CC2=C(NC3=C2C=CN=C3C2=NC(N)=NC=C2)C=C1
InChIKey
InChIKey=HLTDPJMFZSBTFO-UHFFFAOYSA-N
Formula
C16H13N5O
Mass
291.314
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 Indoles Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Pyridopyrimidine - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Pyrimidine - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen 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