Compound Identification
SMILES
COC1=C(OC)C(OC)=C(CC2(NCCC3=C2NC2=C3C=CC(C)=C2Br)C(O)=O)C=C1
InChIKey
InChIKey=HQLLHLRRQLVDSZ-UHFFFAOYSA-N
Formula
C23H25BrN2O5
Mass
489.366
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 Phenylpropanoic acids 3-alkylindoles Alpha amino acids Amphetamines and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Aryl bromides Pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organobromides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - 3-phenylpropanoic-acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - 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