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Isookanin , CAS No.1036-49-3

COA

Cas Number: 1036-49-3
Molecular Weight: 288.25
PubChem CID: 91196552

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Item Number

I649131

Grouped product items
SKU	Size	Availability	Price
I649131-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
I649131-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
I649131-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90

Flavonoids Flavonones Phenols Polyphenols

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Anti-infection (2803) Flavonoids Flavonones Phenols Polyphenols (13) HSV (104) Virus (1811)

Basic Description

Biochemical and Physiological Mechanisms	Isookanin can be used for the research of various illnesses including cancers, skin rashes, snake and insects bites, diabetes mellitus, diarrhoea. Isookanin acts as an anti-viral agent against HSV and varicella-zoster virus (VZV). Antioxidant activity
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Isookanin can be used for the research of various illnesses including cancers, skin rashes, snake and insects bites, diabetes mellitus, diarrhoea. Isookanin acts as an anti-viral agent against HSV and varicella-zoster virus (VZV). Antioxidant activity. In Vitro Isookanin exhibits excellent DPPH scavenging activities with the EC 50 of 10.6 µM. Isookanin shows comparable cellular antioxidant activity with the IC 50 of 14.4 µM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Flavonoids
    - Subclass Flavans

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids
Subclass	Flavans
Intermediate Tree Nodes	Not available
Direct Parent	Flavanones
Alternative Parents	8-hydroxyflavonoids 7-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids Chromones Catechols Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavanone - Hydroxyflavonoid - 8-hydroxyflavonoid - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - 3'-hydroxyflavonoid - Chromone - 1-benzopyran - Benzopyran - Chromane - Aryl alkyl ketone - Aryl ketone - Catechol - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

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	(2S)-2-(3,4-dihydroxyphenyl)-7,8-dihydroxy-2,3-dihydrochromen-4-one
INCHI	InChI=1S/C15H12O6/c16-9-3-1-7(5-12(9)19)13-6-11(18)8-2-4-10(17)14(20)15(8)21-13/h1-5,13,16-17,19-20H,6H2/t13-/m0/s1
InChIKey	ZPVNWCMRCGXRJD-ZDUSSCGKSA-N
Smiles	C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC(=C(C=C3)O)O
Isomeric SMILES	C1[C@H](OC2=C(C1=O)C=CC(=C2O)O)C3=CC(=C(C=C3)O)O
PubChem CID	91196552
MeSH Entry Terms	isookanin
Molecular Weight	288.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	288.250 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	288.063 Da
Monoisotopic Mass	288.063 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	400.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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