Compound Identification
SMILES
COC1=CC2=C(NC[C@H]2C(=O)[C@@H]2NC[C@@]3(C[C@H]3C(N)=O)C[C@H]2C(O)=O)C=C1
InChIKey
InChIKey=SEORMDMPHPEAKE-QDQRGDLZSA-N
Formula
C19H23N3O5
Mass
373.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 10,11-secoergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
10,11-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
10,11-secoergolines
Alternative Parents
Ergoline and derivatives Piperidinecarboxylic acids Indolines Anisoles Gamma-keto acids and derivatives Alkyl aryl ethers Secondary alkylarylamines Aralkylamines Cyclopropanecarboxylic acids and derivatives Beta-amino ketones Alpha-amino ketones Primary carboxylic acid amides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
10,11-secoergoline - Ergoline skeleton - Indole or derivatives - Dihydroindole - Piperidinecarboxylic acid - Anisole - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Beta-aminoketone - Cyclopropanecarboxylic acid or derivatives - Keto acid - Benzenoid - Piperidine - Alpha-aminoketone - Primary carboxylic acid amide - Ketone - Amino acid or derivatives - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Secondary aliphatic amine - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 10,11-secoergolines. These are ergoline derivatives, where carbon atoms C10 and C11 of the ergoline moiety are not linked to each other.
External Descriptors
Not available