Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)[C@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C

InChIKey

InChIKey=RWUYSZDEZNBFOW-NRBWKMMVSA-N

Formula

C56H73N5O11

Mass

992.224

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Ergoline and derivatives

Subclass

Lysergic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Ergopeptines

Alternative Parents

Molecular Framework

Not available

Substituents

Ergopeptine - Hybrid peptide - Progestogin-skeleton - 20-oxosteroid - Pregnane-skeleton - Alpha-dipeptide - Lysergic acid amide - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-4-steroid - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - 3-alkylindole - Quinoline - Isoindole or derivatives - Indole or derivatives - Indole - Aralkylamine - N-alkylpiperazine - Cyclohexenone - Fatty acid - Piperazine - Unsaturated fatty acid - Oxazolidinone - Benzenoid - Dicarboxylic acid or derivatives - Fatty acyl - 1,4-diazinane - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Oxazolidine - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Orthocarboxylic acid derivative - Ketone - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Alkanolamine - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ergopeptines. These are ergoline derivatives that contain a tripeptide structure attached to the basic ergoline ring in the same location as the amide group of the lysergic acid derivatives.

External Descriptors

Not available

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