Compound Identification
SMILES
CC=C1CN2CCc3c([nH]c4ccccc34)C2CC1CC1NCCc2c1[nH]c1ccc(O)cc21
InChIKey
InChIKey=CPBXKOSGZMSCBX-UHFFFAOYSA-N
Formula
C29H32N4O
Mass
452.602
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 Quinolizines Hydroxyindoles 3-alkylindoles Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperidines Pyrroles Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Hydroxyindole - 3-alkylindole - Quinolizine - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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