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5-Methyl-7-methoxyisoflavone - 10mM in DMSO, high purity , CAS No.82517-12-2
Basic Description
Synonyms
5-Methyl-7-methoxyisoflavone | 82517-12-2 | 7-Methoxy-5-methyl-3-phenyl-4H-chromen-4-one | 7-methoxy-5-methyl-3-phenylchromen-4-one | NHW23TRU3M | 4H-1-Benzopyran-4-one, 7-methoxy-5-methyl-3-phenyl- | 5-methyl-7-methoxy-isoflavone | 7-METHOXY-5-METHYLISOFLAVONE | UNII-NH
Specifications & Purity
10mM in DMSO
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
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
7-O-methylated isoflavonoids
Direct Parent
7-O-methylisoflavones
Alternative Parents
Isoflavones Chromones Anisoles Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
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.
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
7-methoxy-5-methyl-3-phenylchromen-4-one
INCHI
InChI=1S/C17H14O3/c1-11-8-13(19-2)9-15-16(11)17(18)14(10-20-15)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
WGOUYULOZZRTFS-UHFFFAOYSA-N
Smiles
CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC
Isomeric SMILES
CC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=CC=C3)OC
Molecular Weight
266.29
Reaxy-Rn
4873024
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4873024&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
117-121° C
Molecular Weight
266.290 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
266.094 Da
Monoisotopic Mass
266.094 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
395.000
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
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