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Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=CC=CC=C2C(COC2=CC3=C(NC[C@H]3C(=O)[C@H]3NC[C@@]4(C[C@H]4C(N)=O)C[C@H]3C(O)=O)C=C2)=C1

InChIKey

InChIKey=PBLJIDFEDCAFKW-DOAJDIMGSA-N

Formula

C29H30N4O5

Mass

514.582

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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 - Secondary aliphatic/aromatic amine - Aralkylamine - Beta-aminoketone - Pyridine - Piperidine - Keto acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Alpha-aminoketone - Ketone - Primary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - 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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