Compound Identification
SMILES
COC1=CC=C(C=C1)C1N(CCC2=C1NC1=CC=CC=C21)C(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=IHYVKBVHQBRKTD-UHFFFAOYSA-N
Formula
C25H21BrN2O2
Mass
461.359
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 2-halobenzoic acids and derivatives 3-alkylindoles Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Pyridoindole - Beta-carboline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole or derivatives - Indole - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - 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