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Irigenin - 10mM in DMSO, high purity , CAS No.548-76-5

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Irigenin - 10mM in DMSO, high purity , CAS No.548-76-5

COA

Grade & Purity:

10mM in DMSO

Cas Number: 548-76-5
Molecular Weight: 360.31
PubChem CID: 5464170

In stock

Item Number

I424678

Grouped product items
SKU	Size	Availability	Price	Qty
I424678-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$148.90

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Compound libraries (12325)

Basic Description

Synonyms	5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone \| MFCD00597047 \| SR-05000002617 \| DTXSID90203285 \| C17957 \| EC 214-306-9 \| BS-17232 \| SCHEMBL42192 \| CHEBI:81409 \| SCHEMBL554864 \| 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-me
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Irigenin is a is a lead compound, and mediates its anti-metastatic effect by specifically and selectively blocking α9β1 and α4β1 integrins binding sites on C-C loop of Extra Domain A (EDA). Irigenin shows anti-cancer properties. It sensitizes TRAIL-induce
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.
Product Description	Irigenin has antifungal activity.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Isoflavonoids
    - Subclass O-methylated isoflavonoids
      - Level5 4'-O-methylated isoflavonoids
        Level6 3'-hydroxy,4'-methoxyisoflavonoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Isoflavonoids
Subclass	O-methylated isoflavonoids
Intermediate Tree Nodes	4'-O-methylated isoflavonoids
Direct Parent	3'-hydroxy,4'-methoxyisoflavonoids
Alternative Parents	4'-O-methylisoflavones 3'-O-methylisoflavones Isoflavones Hydroxyisoflavonoids Chromones Methoxyphenols Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3p-methoxyisoflavone - 4p-o-methylisoflavone - 3'-hydroxy,4'-methoxyisoflavonoid - Isoflavone - Hydroxyisoflavonoid - Chromone - Methoxyphenol - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3'-hydroxy,4'-methoxyisoflavonoids. These are isoflavonoids carrying a methoxy group attached to the C4' atom, as well as a hydroxyl group at the C3'-position of the isoflavonoid backbone.
External Descriptors	Isoflavonoids
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

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
INCHI	InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
InChIKey	TUGWPJJTQNLKCL-UHFFFAOYSA-N
Smiles	COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Isomeric SMILES	COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=C(C(=C3)O)OC)O
Molecular Weight	360.31
Reaxy-Rn	345805
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=345805&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	360.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	360.085 Da
Monoisotopic Mass	360.085 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	549.000
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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