(6E)-6-(hydroxyimino)-N-(4-methoxyphenyl)-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.E609272, Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

CAS: E609272 Cat. No.: E609272 PubChem CID: 49858118

GRADE & PURITY Moligand™

Synonyms

compound 4

Storage

Room temperature

Specifications

Synonyms

compound 4

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)OC
• IUPAC Name: (6E)-6-(hydroxyimino)-N-(4-methoxyphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
• InChIKey: VRGVOWFKLSZRDR-SILNSSARSA-N
• INCHI: 1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-
• Isomeric SMILES: COC1=CC=C(C=C1)NC(=O)C23CC2/C(=N\O)/C4=CC=CC=C4O3
• PubChem CID: 49858118

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: Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles 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 - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen 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)