Compound Identification
SMILES
COC(=O)[C@H]1CC2[C@@H](CC3(Br)C=NC4=CC=CC2=C34)N(C)C1
InChIKey
InChIKey=RJRDKNANMDTVAZ-SHQAKQNGSA-N
Formula
C17H19BrN2O2
Mass
363.255
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Lysergic acids and derivatives
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Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergic acids and derivatives
Alternative Parents
6,7-secoergolines Benzoquinolines Tetralins 3-alkylindoles Piperidinecarboxylic acids Isoindoles and derivatives Aralkylamines Methyl esters Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imines Alkyl bromides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lysergic acid or derivatives - 6,7-secoergoline - Benzoquinoline - Quinoline - 3-alkylindole - Tetralin - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Piperidine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Imine - Alkyl bromide - Organobromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors
Not available