Compound Identification
SMILES
CC(C)C(NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1)C(=O)N1C(C(C)C)C(=O)N2CCCC2C1=O
InChIKey
InChIKey=HGFXZZULRBUAON-UHFFFAOYSA-N
Formula
C31H39N5O4
Mass
545.684
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
-
Subclass
Lysergic acids and derivatives
- Level 5 Ergopeptams
-
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
Ergopeptams
Alternative Parents
Hybrid peptides Dipeptides Lysergamides Indoloquinolines Benzoquinolines Valine and derivatives Quinoline-3-carboxamides N-acyl-alpha amino acids and derivatives Pyrroloquinolines Alpha amino acid amides 3-alkylindoles Isoindoles and derivatives 2,5-dioxopiperazines Aralkylamines N-alkylpiperazines N-substituted carboxylic acid imides Benzenoids Heteroaromatic compounds Dicarboximides Tertiary carboxylic acid amides Pyrroles Pyrrolidines Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergopeptam-skeleton - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Valine or derivatives - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Dioxopiperazine - 2,5-dioxopiperazine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Carboxylic acid imide, n-substituted - Piperazine - Tertiary carboxylic acid amide - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergopeptams. These are tripeptidic noncyclol ergot alkaloids. The structure of ergopeptams is similar to ergopeptines except that L-proline is exchanged by D-proline, and the tripeptide chain is a noncyclol lactam.
External Descriptors
Not available