Compound Identification
SMILES
CN(C)CCOC1=CC=CC(=C1)C1NCCC2=C1NC1=C2C=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=SOQRQRSSMXHAAE-UHFFFAOYSA-N
Formula
C28H31N3O2
Mass
441.575
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 Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Ether - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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