Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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