Compound Identification
SMILES
CC(=O)N1CCC2=C(NC3=C2C=C(Cl)C=C3)C11CCN(CCCOC2=CC=CC3=CC=CC=C23)CC1
InChIKey
InChIKey=GAABGCPMJOFZIX-UHFFFAOYSA-N
Formula
C30H32ClN3O2
Mass
502.06
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 Naphthalenes Phenol ethers Alkyl aryl ethers Aralkylamines Piperidines Aryl chlorides Acetamides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - Naphthalene - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl halide - Aryl chloride - Piperidine - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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