Compound Identification
SMILES
CCCCC1(CCCC)N[C@H](CC2=C1NC1=CC=CC=C21)C1=NC(=CS1)C1=CC=CC=C1
InChIKey
InChIKey=YFDDRRGWVCPNBL-XMMPIXPASA-N
Formula
C28H33N3S
Mass
443.65
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 Aralkylamines 2,4-disubstituted thiazoles Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazole - Pyrrole - Heteroaromatic compound - Azole - Secondary amine - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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