Ergocornine , CAS No.564-36-3

CAS: 564-36-3 Cat. No.: E1430398 Formule: C₃₁H₃₉N₅O₅ Poids moléculaire: 561.67 PubChem CID: 73453

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Ergocornine,a natural ergot alkaloid, is a dopamine receptor agonist.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Noms et identifiants

Sourires canoniques

CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

IUPAC Name

(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

InChIKey

UJYGDMFEEDNVBF-OGGGUQDZSA-N

INCHI

1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

Isomères SMILES

CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

PubChem CID

73453

Poids moléculaire

561.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Ergoline and derivatives
      • Subclass Lysergic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Ergoline and derivatives
• Subclass: Lysergic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lysergamides
• Alternative Parents: Indoloquinolines Benzoquinolines Pyrroloquinolines N-acyl-alpha amino acids and derivatives 3-alkylindoles Isoindoles and derivatives Aralkylamines N-alkylpiperazines Benzenoids Oxazolidinones Pyrroles Heteroaromatic compounds Pyrrolidines Tertiary carboxylic acid amides Lactams Trialkylamines Orthocarboxylic acid derivatives Oxacyclic compounds Alkanolamines Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Lysergic acid amide - Indoloquinoline - Benzoquinoline - N-acyl-alpha amino acid or derivatives - Pyrroloquinoline - Alpha-amino acid or derivatives - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Oxazolidinone - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Oxazolidine - Pyrrole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Orthocarboxylic acid derivative - Amino acid or derivatives - Lactam - Carboxamide group - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Alkanolamine - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as lysergamides. These are amides of Lysergic acids.
• External Descriptors: Indole alkaloids - Ergot alkaloids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y