Compound Identification
SMILES
CCN1C=C(C2NCCC3=C2NC2=C3C=C(OC)C=C2)C(C)=N1
InChIKey
InChIKey=JKTBTDPFGHMFMG-UHFFFAOYSA-N
Formula
C18H22N4O
Mass
310.401
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 Aralkylamines Alkyl aryl ethers Pyrroles Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Pyrrole - Secondary amine - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen 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