Compound Identification
SMILES
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4CC5=C(Br)NC6=CC=CC(=C56)C4=C3)(O[C@@]2(C)C2CCCN2C1=O)C(C)C
InChIKey
InChIKey=VXKZHQFPKOCZQL-CDQMKBJGSA-N
Formula
C33H42BrN5O4
Mass
652.634
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Alkaloids and derivatives
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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 Pyrroloquinolines Quinoline-3-carboxamides N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Benzenoids Oxazolidinones Substituted pyrroles Aryl bromides Heteroaromatic compounds Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Lactams Trialkylamines Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergopeptine - Hybrid peptide - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Quinoline-3-carboxamide - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - Benzenoid - Aryl bromide - Aryl halide - 1,4-diazinane - Substituted pyrrole - Oxazolidinone - Piperazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Oxazolidine - Pyrrolidine - Pyrrole - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Amine - Organic oxide - 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