Compound Identification
SMILES
COC(=O)C1CC2=C(NC3=CC=CC=C23)C(N1C(C)=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=RVPFBYKTOAVCLZ-UHFFFAOYSA-N
Formula
C23H24N2O5
Mass
408.454
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
Alpha amino acid esters Beta carbolines 3-alkylindoles Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Acetamides Pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - O-dimethoxybenzene - Dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Acetamide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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