Compound Identification
SMILES
O=C(\C=C\C1=CN=C(C=C1)N1CCCC1)N1CCC2=C3C=CC=C[C@H]3NC2=C1C1=CC2=C(OCC2)C=C1
InChIKey
InChIKey=IOPKNIRCCCPQAA-XVMYRHOCSA-N
Formula
C31H30N4O2
Mass
490.607
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
Indoles and derivatives Coumarans Dialkylarylamines Tetrahydropyridines Alkyl aryl ethers Aminopyridines and derivatives Imidolactams Benzenoids Tertiary carboxylic acid amides Pyrrolines Pyrrolidines Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Enamines Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Coumaran - Indole or derivatives - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Tetrahydropyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Enamine - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen 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