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(O)[C@@H]2CCCN2C1=O)C(C)C
InChIKey
InChIKey=UJYGDMFEEDNVBF-CYAGOSPFSA-N
Formula
C31H39N5O5
Mass
561.683
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
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Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptines
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Subclass
Lysergic acids and derivatives
-
Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
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
Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Oxazolidinones Benzenoids Pyrrolidines Pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Orthocarboxylic acid derivatives Trialkylamines Lactams Alkanolamines Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hybrid peptide - Ergopeptine - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Quinoline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Oxazolidinone - Piperazine - Pyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Oxazolidine - Carboxamide group - Amino acid or derivatives - Lactam - Tertiary aliphatic amine - Tertiary amine - Orthocarboxylic acid derivative - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Alkanolamine - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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