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7,3',4'-Trihydroxyisoflavone (Standard)

CAT: 0804-HY-124953R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124953R-01Size:5 mg
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Description
7,3',4'-Trihydroxyisoflavone (Standard) is the analytical standard of 7,3',4'-Trihydroxyisoflavone. This product is intended for research and analytical applications. 7,3',4'-Trihydroxyisoflavone, a major metabolite of Daidzein, is an ATP-competitive inhibitor of Cot (Tpl2/MAP3K8) and MKK4. 7,3',4'-Trihydroxyisoflavone has anticancer, anti-angiogenic, chemoprotective, and free radical scavenging activities[1][2].
CAS Number
485-63-2
UNSPSC
12352100
Target
Apoptosis; MAP3K; Reference Standards
Related Pathways
Apoptosis; MAPK/ERK Pathway; Others
Field of Research
Cancer
Smiles
OC1=CC=C2C(C(C3=CC(O)=C(C=C3)O)=COC2=C1)=O
Molecular Formula
C15H10O5
Molecular Weight
270.24
References & Citations
[1]Yu-Li Lo, et al. 7,3',4'-Trihydroxyisoflavone modulates multidrug resistance transporters and induces apoptosis via production of reactive oxygen species. Toxicology. 2012 Dec 16;302 (2-3) :221-32. |[2]Dong Eun Lee, et al. 7,3',4'-Trihydroxyisoflavone, a metabolite of the soy isoflavone daidzein, suppresses ultraviolet B-induced skin cancer by targeting Cot and MKK4. J Biol Chem. 2011 Apr 22;286 (16) :14246-56.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3',4',7-Trihydroxyisoflavone

3',4',7-trihydroxyisoflavone is a 7-hydroxyisoflavone that is daidzein substituted by a hydroxy group at position 3'. It has a role as a metabolite, an antineoplastic agent and an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor. It is functionally related to a daidzein.

CAS Number485-63-2
PubChem CID5284648
IUPAC Name3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP2.1
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity418
SMILES
C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
InChIKey
DDKGKOOLFLYZDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4',7-Trihydroxyisoflavone
CAS: 485-63-2
CID: 5284648
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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