Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.CC(C)[C@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
InChIKey
InChIKey=RWUYSZDEZNBFOW-NRBWKMMVSA-N
Formula
C56H73N5O11
Mass
992.224
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 Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids Dipeptides Lysergamides 3-oxo delta-4-steroids Delta-4-steroids Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines Cyclohexenones N-alkylpiperazines Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Oxazolidinones Heteroaromatic compounds Pyrroles Pyrrolidines Tertiary carboxylic acid amides Lactams Trialkylamines Secondary carboxylic acid amides Orthocarboxylic acid derivatives Alkanolamines Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Not available
Substituents
Ergopeptine - Hybrid peptide - Progestogin-skeleton - 20-oxosteroid - Pregnane-skeleton - Alpha-dipeptide - Lysergic acid amide - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Steroid - Delta-4-steroid - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - 3-alkylindole - Quinoline - Isoindole or derivatives - Indole or derivatives - Indole - Aralkylamine - N-alkylpiperazine - Cyclohexenone - Fatty acid - Piperazine - Unsaturated fatty acid - Oxazolidinone - Benzenoid - Dicarboxylic acid or derivatives - Fatty acyl - 1,4-diazinane - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Oxazolidine - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Orthocarboxylic acid derivative - Ketone - Lactam - Azacycle - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Alkanolamine - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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