Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.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=FZRTUCBIWXGZGU-FCMFDKCCSA-N
Formula
C35H43N5O9
Mass
677.755
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
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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 Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Oxazolidinones Pyrroles Pyrrolidines Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Trialkylamines Orthocarboxylic acid derivatives Azacyclic compounds Carboxylic acids Alkanolamines Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Not available
Substituents
Hybrid peptide - Ergopeptine - 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 - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Oxazolidinone - Piperazine - Benzenoid - Unsaturated fatty acid - Pyrrole - Pyrrolidine - Heteroaromatic compound - Oxazolidine - Tertiary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Lactam - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Orthocarboxylic acid derivative - Azacycle - Carboxylic acid derivative - Alkanolamine - Organoheterocyclic compound - Carboxylic acid - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - 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