Compound Identification
SMILES
CC=C(C=CN=C)C(=O)NCC(O)CCOC1=CC=C(C=C1)C1N(CCC2=C1NC1=C2C=C(Cl)C=C1)C(=O)OC1=CC=C(Cl)C=C1
InChIKey
InChIKey=AQPPPQWTDBVAMR-UHFFFAOYSA-N
Formula
C35H34Cl2N4O5
Mass
661.58
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 3-alkylindoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-acyl amines Pyrroles Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - N-acyl-amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organooxygen compound - Imine - Organonitrogen compound - Organochloride - Organohalogen 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