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MRS1066 , CAS No.M612028, Antagonist of A 1 receptor;Antagonist of A 2A receptor
Basic Description
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of A 1 receptor;Antagonist of A 2A receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Chromones
Direct Parent
Furanochromones
Alternative Parents
Benzofurans Styrenes Phenol ethers Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furanochromone - Benzofuran - Phenol ether - Styrene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Furan - Vinylogous ester - Ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-ethoxy-7-[(E)-2-phenylethenyl]pyrano[3,2-f][1]benzoxol-5-one
INCHI
InChI=1S/C21H16O4/c1-2-23-21-16-10-11-24-18(16)13-19-20(21)17(22)12-15(25-19)9-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3/b9-8+
InChIKey
TZRUAYHMQMKKLT-CMDGGOBGSA-N
Smiles
CCOc1c2c(=O)cc(oc2cc2c1cco2)/C=C/c1ccccc1
Isomeric SMILES
CCOC1=C2C=COC2=CC3=C1C(=O)C=C(O3)/C=C/C4=CC=CC=C4
PubChem CID
10806465
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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