Structure Information
Structure

Compound Identification

SMILES

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(OP(O)(O)=O)[C@@H]2CCCN2C1=O)C(C)C

InChIKey

InChIKey=GXOKSFRHRPMQAB-XPLOWLJCSA-N

Formula

C31H40N5O8P

Mass

641.662

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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

Aromatic heteropolycyclic compounds

Substituents

Ergopeptine - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - N-alkylpiperazine - Monoalkyl phosphate - Aralkylamine - Alkyl phosphate - Benzenoid - 1,4-diazinane - Organic phosphoric acid derivative - Oxazolidinone - Phosphoric acid ester - Piperazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Oxazolidine - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Orthocarboxylic acid derivative - Carboxamide group - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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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