Structure Information
Structure

Compound Identification

SMILES

CN1C[C@@]2(C[C@H]2C(N)=O)C[C@H]([C@H]1C(=O)[C@@H]1CNC2=C1C=C(OCC1=CC(C)=NC3=CC=CC=C13)C=C2)C(O)=O

InChIKey

InChIKey=FTCSQQMDQLQTKS-HLTRQOQOSA-N

Formula

C30H32N4O5

Mass

528.609

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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 - Quinoline - Dihydroindole - Indole or derivatives - Piperidinecarboxylic acid - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Methylpyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Keto acid - Beta-aminoketone - Piperidine - Pyridine - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Alpha-aminoketone - Heteroaromatic compound - Ketone - Carboxamide group - Primary carboxylic acid amide - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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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