Compound Identification
SMILES
COC1=CC(OC)=C(Cl)C=C1C1NC(CC2=C1NC1=CC=CC=C21)C(O)=O
InChIKey
InChIKey=BVQQEPYBDWBNSB-UHFFFAOYSA-N
Formula
C20H19ClN2O4
Mass
386.83
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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Aralkylamines Aryl chlorides Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Dimethoxybenzene - M-dimethoxybenzene - Indole - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Chlorobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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