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-XJUOHTAZSA-N
Formula
C31H39N5O5
Mass
561.683
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
-
Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptines
-
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
Dipeptides Cyclic peptides Lysergamides Indoloquinolines Benzoquinolines Valine and derivatives Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives Alpha amino acid amides Isoindoles and derivatives Indoles N-acylpyrrolidines N-alkylpiperazines Oxazolidinones N-acyl amines Benzenoids Tertiary carboxylic acid amides Pyrrolines Pyrroles Heteroaromatic compounds Trialkylamines Lactams Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergopeptine - Alpha-dipeptide - Cyclic alpha peptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Valine or derivatives - Quinoline-3-carboxamide - Pyrroloquinoline - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Quinoline - Alpha-amino acid or derivatives - Isoindole or derivatives - Indole or derivatives - Indole - N-acylpyrrolidine - N-alkylpiperazine - Benzenoid - Piperazine - Oxazolidinone - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrroline - Pyrrolidine - Pyrrole - Oxazolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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