Compound Identification
SMILES
[H]OS(=O)(=O)C([H])([H])C([H])([H])[H].[H]O[C@@]12O[C@@](N([H])C(=O)C3([H])C([H])=C4C5=C6C(N([H])C([H])=C6C([H])([H])[C@@]4([H])N(C([H])([H])[H])C3([H])[H])=C([H])C([H])=C5[H])(C(=O)N1[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]21[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIKey
InChIKey=SWXRNTKMPGEPMV-WKUNPOSJSA-N
Formula
C33H45N5O8S
Mass
671.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 N-alkylpiperazines Aralkylamines Oxazolidinones Benzenoids Tertiary carboxylic acid amides Sulfonyls Pyrrolidines Pyrroles Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Trialkylamines Secondary carboxylic acid amides Orthocarboxylic acid derivatives Lactams Oxacyclic compounds Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Hybrid peptide - Ergopeptine - Alpha-dipeptide - Lysergic acid amide - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - Pyrroloquinoline - N-acyl-alpha amino acid or derivatives - 3-alkylindole - Quinoline - Alpha-amino acid or derivatives - Isoindole or derivatives - Indole or derivatives - Indole - Aralkylamine - N-alkylpiperazine - Benzenoid - Piperazine - Oxazolidinone - 1,4-diazinane - Heteroaromatic compound - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Pyrrole - Oxazolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Orthocarboxylic acid derivative - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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