Compound Identification
SMILES
CN1CCC[C@@H]1C1=C(O)C=CC2=C1NC1=C2CCN2CC(C=C)[C@@H](C[C@@H]3N(C)CCC4=C3NC3=CC=CC=C43)C[C@@H]12
InChIKey
InChIKey=PHLJPJICTIGOKC-FJYSINDBSA-N
Formula
C35H43N5O
Mass
549.763
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 Phenylpyrrolidines Hydroxyindoles 3-alkylindoles Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperidines N-alkylpyrrolidines Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 2-phenylpyrrolidine - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Benzenoid - N-alkylpyrrolidine - Piperidine - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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