(6E)-6-(hydroxyimino)-N-(4-methylphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide - Moligand™ , Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor, CAS No.E609189, Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

CAS: E609189 Cat. No.: E609189 PubChem CID: 49858117

GRADE & PURITY Moligand™

Synonyms

compound 3

Storage

Room temperature

Specifications

Sinónimos

compound 3

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

Nombres e identificadores

• Sonrisas canónicas: O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C
• IUPAC Name: (6E)-6-(hydroxyimino)-N-(4-methylphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
• InChIKey: VKCTUZKPBYSTDW-SILNSSARSA-N
• INCHI: 1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-
• Isómeros SMILES: CC1=CC=C(C=C1)NC(=O)C23CC2/C(=N\O)/C4=CC=CC=C4O3
• PubChem CID: 49858117

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Anilides N-arylamides Toluenes Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Anilide - N-arylamide - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• External Descriptors: Not available

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

Objetivos asociados (humanos)

GRM2 Tchem Metabotropic glutamate receptor 2 (2 Activities)

Discover Target: GRM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRM3 Tchem Metabotropic glutamate receptor 3 (1 Activities)

Discover Target: GRM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)