Compound Identification
SMILES
CN1C(CC2=C(NC3=CC=CC=C23)C1(C(=O)CCl)C1=CC2=C(OCO2)C=C1)C([O-])=O
InChIKey
InChIKey=LEJBMGACYZQJNK-UHFFFAOYSA-M
Formula
C22H18ClN2O5
Mass
425.85
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 Alpha amino acids Benzodioxoles Aralkylamines Benzenoids Pyrroles Alpha-amino ketones Alpha-chloroketones Heteroaromatic compounds Carboxylic acid salts Amino acids Trialkylamines Carboxylic acids Azacyclic compounds Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Aldehydes Alkyl chlorides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Benzodioxole - Indole - Indole or derivatives - Aralkylamine - Benzenoid - Alpha-aminoketone - Alpha-chloroketone - Alpha-haloketone - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid - Carboxylic acid salt - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Aldehyde - Alkyl chloride - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Organic anion - 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