Compound Identification
SMILES
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1NC1=CC=CC=C21
InChIKey
InChIKey=AVJZNOIWPGXYKM-LXFCCGDJSA-N
Formula
C29H37N3O2
Mass
459.634
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 Tetrahydroisoquinolines Quinolizidines 3-alkylindoles Anisoles Aralkylamines Alkyl aryl ethers Piperidines Pyrroles Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Quinolizidine - Tetrahydroisoquinoline - 3-alkylindole - Indole - Indole or derivatives - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Piperidine - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Ether - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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
CHEBI:4433 :
harmala alkaloid
KEGG (C11817) :
Isoquinoline alkaloids