Compound Identification
SMILES
[H]C12CCCN1C(=O)C([H])(CC1=CC=CC=C1)N1C(=O)C(C)(OC21O)N=C(O)C1([H])CN(C)C2([H])CC3=CN(C)C4=CC=CC(=C34)C2=C1
InChIKey
InChIKey=SZUQJDJBJHBVBO-UHFFFAOYSA-N
Formula
C34H37N5O5
Mass
595.7
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
Ergopeptines
Direct Parent
Ergotamines, dihydroergotamines, and derivatives
Alternative Parents
Lysergamides Indoloquinolines Benzoquinolines Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles N-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Oxazolidinones Benzene and substituted derivatives N-methylpyrroles Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Trialkylamines Orthocarboxylic acid derivatives Lactams Carboximidic acids Alkanolamines Oxacyclic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ergotamine - Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - N-alkylindole - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-methylpyrrole - Oxazolidinone - Piperazine - Benzenoid - Substituted pyrrole - Pyrrole - Oxazolidine - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Orthocarboxylic acid derivative - Tertiary amine - Carboxamide group - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid - Carboxylic acid derivative - Alkanolamine - Carboximidic acid derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergotamines, dihydroergotamines, and derivatives. These are organic compounds containing an ergotamine moiety, which is structurally characterized by a benzyl substituent attached to the piperazine ring of the ergopeptine backbone.
External Descriptors
Not available