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Structure Information
Structure

Compound Identification

SMILES

NC(=O)[C@@H]1C[C@@]11CN[C@@H]([C@@H](C1)C(O)=O)C(=O)[C@@H]1CNC2=C1C=C(OCC1=CC=CC=C1)C=C2

InChIKey

InChIKey=MLNBHXLRNZQYBZ-RHNVHHLZSA-N

Formula

C25H27N3O5

Mass

449.507

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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 - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Beta-aminoketone - Cyclopropanecarboxylic acid or derivatives - Keto acid - Benzenoid - Piperidine - Alpha-aminoketone - Primary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Ether - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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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