Compound Identification
SMILES
CS(O)(=O)=O.CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
InChIKey
InChIKey=NOJMTMIRQRDZMT-NEKRQHSLSA-N
Formula
C33H44BrN5O8S
Mass
750.71
Taxonomic Classification
Taxonomy Tree
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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
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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 Substituted pyrroles Oxazolidinones Aryl bromides Benzenoids Pyrrolidines Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Orthocarboxylic acid derivatives Trialkylamines Oxacyclic compounds Alkanolamines Azacyclic compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
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 - Amino acid or derivatives - Orthocarboxylic acid derivative - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Alkanolamine - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organobromide - Organooxygen compound - 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