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eupatorin-5-methyl ether - Reagent Grade, high purity , CAS No.21764-09-0
Basic Description
Synonyms
3'-Hydroxy-5,6,7,4'-tetramethoxyflavone | MFCD00016928 | SCHEMBL1764630 | 6-Hydroxyluteolin 5,6,7,4'-tetramethyl ether | 2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxy-4H-chromen-4-one | AKOS024286205 | 2-(3-Hydroxy-4-methoxy-phenyl)-5,6,7-trimethoxy-chro
Specifications & Purity
Reagent grade
Grade
Reagent Grade
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
4'-O-methylated flavonoids 5-O-methylated flavonoids 6-O-methylated flavonoids 3'-hydroxyflavonoids Monohydroxyflavonoids Flavones Chromones Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 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 - 6-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Monohydroxyflavonoid - Chromone - Benzopyran - Methoxyphenol - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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
2-(3-hydroxy-4-methoxyphenyl)-5,6,7-trimethoxychromen-4-one
INCHI
InChI=1S/C19H18O7/c1-22-13-6-5-10(7-11(13)20)14-8-12(21)17-15(26-14)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
InChIKey
LYLDPYNWDVVPIQ-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
Isomeric SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)O
UN Number
2811
Molecular Weight
358.34
Reaxy-Rn
5626139
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5626139&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
Not applicable
Flash Point(°C)
Not applicable
Molecular Weight
358.300 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
358.105 Da
Monoisotopic Mass
358.105 Da
Topological Polar Surface Area
83.500 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
534.000
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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