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4'，5-Dihydroxy-3'，5'，6，7-tetramethoxyflavone - ≥95%, high purity , CAS No.83133-17-9
Basic Description
Specifications & Purity
≥95%
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
3'-O-methylated flavonoids 6-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavones Chromones Methoxyphenols Dimethoxybenzenes Anisoles Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Heteroaromatic compounds Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyflavonoid-skeleton - 3p-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Chromone - M-dimethoxybenzene - Dimethoxybenzene - Benzopyran - Methoxyphenol - 1-benzopyran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Phenol - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous acid - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
INCHI
InChI=1S/C19H18O8/c1-23-13-5-9(6-14(24-2)17(13)21)11-7-10(20)16-12(27-11)8-15(25-3)19(26-4)18(16)22/h5-8,21-22H,1-4H3
InChIKey
XEHLDSAKZSXOFK-UHFFFAOYSA-N
Smiles
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
Isomeric SMILES
COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O
PubChem CID
16681753
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
374.300 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
5
Exact Mass
374.1 Da
Monoisotopic Mass
374.1 Da
Topological Polar Surface Area
104.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
550.000
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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