(6E)-N-(4-chlorophenyl)-6-(hydroxyimino)-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.E609076, Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

CAS: E609076 Cat. No.: E609076 PubChem CID: 49836087

GRADE & PURITY Moligand™

Synonyms

compound 2

Storage

Room temperature

Specifications

Synonyms

compound 2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

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

Names and Identifiers

• Canonical Smiles: O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl
• IUPAC Name: (6E)-N-(4-chlorophenyl)-6-(hydroxyimino)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
• InChIKey: ZRURMLHGCOJTNX-HKWRFOASSA-N
• INCHI: 1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,22H,9H2,(H,19,21)/b20-15-
• Isomeric SMILES: C1C\2C1(OC3=CC=CC=C3/C2=N/O)C(=O)NC4=CC=C(C=C4)Cl
• PubChem CID: 49836087

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Anilides N-arylamides Chlorobenzenes Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Aryl chlorides Secondary carboxylic acid amides Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Anilide - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Oxacycle - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

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)