Compound Identification
SMILES
CC(=O)OC1=CC=C(C=C1)C1=CC(=NC=N1)N1CCC2=C(NC3=CC=CC=C23)C1C1=CC2=C(OCC2)C=C1
InChIKey
InChIKey=VVYQYELZYSVUHH-UHFFFAOYSA-N
Formula
C31H26N4O3
Mass
502.574
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 Phenylpyrimidines Pyridopyrimidines Phenol esters 3-alkylindoles Coumarans Phenoxy compounds Dialkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Pyrroles Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 5-phenylpyrimidine - 4-phenylpyrimidine - 3-alkylindole - Pyridopyrimidine - Phenol ester - Coumaran - Indole or derivatives - Indole - Phenoxy compound - Dialkylarylamine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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