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4',5,7-TRIMETHOXYFLAVONE - 10mM in DMSO, high purity , CAS No.5631-70-9
K V 1.5 and K V 11.1 (hERG) channel blocker. CFTR channel blocker.
Basic Description
Synonyms
4',5,7-Trimethoxyflavone | 5631-70-9 | Trimethylapigenin | Apigenin trimethyl ether | 5,7,4'-Trimethoxyflavone | 5,7,4'-Trimethylapigenin | 5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one | 5,7-Dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one | Tri-O-methylapigenin | 4',5,7-T
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
K V 1.5 and K V 11.1 (hERG) channel blocker (IC 50 values are 8 and 30 μM for KV1.5 and hERG respectively). CFTR channel blocker. Putative anti-atrial fibrillation agent. Active in vivo.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
O-methylated flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-O-methylated flavonoids
Alternative Parents
5-O-methylated flavonoids 4'-O-methylated flavonoids Flavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous ester - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
External Descriptors
Flavones and Flavonols
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
5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
INCHI
InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
InChIKey
ZXJJBDHPUHUUHD-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
Isomeric SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC
PubChem CID
79730
Molecular Weight
312.32
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
506.5±50.0℃ at 760 mmHg
Melt Point(°C)
158-160℃
Molecular Weight
312.300 g/mol
XLogP3
2.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
312.1 Da
Monoisotopic Mass
312.1 Da
Topological Polar Surface Area
54.000 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
452.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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1 Citations