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485-63-2,MFCD00143002
Catalog No.:AA003ICJ
485-63-2 | 3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
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25mg
≥98%
1 week  
$134.00   $94.00
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50mg
≥98%
1 week  
$192.00   $134.00
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100mg
≥98%
1 week  
$284.00   $199.00
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250mg
≥98%
1 week  
$509.00   $357.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003ICJ
Chemical Name:
3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one
CAS Number:
485-63-2
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
MDL Number:
MFCD00143002
IUPAC Name:
3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
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
InChI Key:
DDKGKOOLFLYZDL-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O
UNII:
T08Y239E7Y
Properties
Computed Properties
 
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

Synonyms
 
3',4',7-trihydroxyisoflavone 
7,3',4'-trihydroxyisoflavone 
CHEBI:50399 
3'',4'',7-trihydroxyisoflavone 
DDKGKOOLFLYZDL-UHFFFAOYSA-N 
3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one 
T08Y239E7Y 
3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one 
4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-7-hydroxy- 
47X 
Orita-13 
3l5r 
3',4',7-Trihydroxyisoflavone 
AC1NR4TZ 
SCHEMBL73012 
BIDD:ER0118 
GTPL9985 
DTXSID3022451 
CTK8F4795 
ZINC391976 
ACM485632 
BDBM50095997 
LMPK12050055 
3'-Hydroxydaidzein 
MFCD00143002 
AKOS024287223 
MCULE-7951276168 
VZ25332 
compound 13 [PMID: 11170644] 
AN-45229 
CC-15315 
ST098994 
ZB012158 
LS-182424 
485-63-2 
FT-0614181 
C14313 
3-(3,4-dihydroxyphenyl)-7-hydroxy-chromen-4-one 
485T632 
C-16979 
7-Hydroxy-3-(3,4-dihydroxyphenyl)-4H-chromen-4-one 
3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one # 
3 inverted exclamation marka,4 inverted exclamation marka,7-Trihydroxyisoflavone 
Hydrocinchonine 
D0J5DN 
7,3',4'-Trihydroxyisoflavone 
3/',4/',7-Trihydroxyisoflavone 
C15-H10-O5 
CID5284648 
C061213 
3-(3,4-Dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one 
UNII-T08Y239E7Y 
CHEMBL13486 
3',4',7-trihydroxy isoflavone 
Literature

Title: Irregularities in enzyme assays: The case of macrophage migration inhibitory factor.

Journal: Bioorganic & medicinal chemistry letters 20160615

Title: 7,3',4'-Trihydroxyisoflavone modulates multidrug resistance transporters and induces apoptosis via production of reactive oxygen species.

Journal: Toxicology 20121216

Title: Profiling and identification of the metabolites of calycosin in rat hepatic 9000×g supernatant incubation system and the metabolites of calycosin-7-O-β-D-glucoside in rat urine by HPLC-DAD-ESI-IT-TOF-MS(n) technique.

Journal: Journal of pharmaceutical and biomedical analysis 20121101

Title: Effects of ortho-dihydroxyisoflavone derivatives from Korean fermented soybean paste on melanogenesis in B16 melanoma cells and human skin equivalents.

Journal: Phytotherapy research : PTR 20120801

Title: Screening and identification of BSA bound ligands from Puerariae lobata flower by BSA functionalized Fe₃O₄ magnetic nanoparticles coupled with HPLC-MS/MS.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20120301

Title: Anti-inflammatory principles from Cordyceps sinensis.

Journal: Journal of natural products 20110923

Title: 7,3',4'-Trihydroxyisoflavone, a metabolite of the soy isoflavone daidzein, suppresses ultraviolet B-induced skin cancer by targeting Cot and MKK4.

Journal: The Journal of biological chemistry 20110422

Title: Chemometric modeling of free radical scavenging activity of flavone derivatives.

Journal: European journal of medicinal chemistry 20101101

Title: Effects of riboflavin photosensitization on daidzein and its photosensitized derivatives.

Journal: Journal of food science 20101001

Title: 7,3',4'-Trihydroxyisoflavone inhibits epidermal growth factor-induced proliferation and transformation of JB6 P+ mouse epidermal cells by suppressing cyclin-dependent kinases and phosphatidylinositol 3-kinase.

Journal: The Journal of biological chemistry 20100709

Title: Regioselective hydroxylation of daidzein using P450 (CYP105D7) from Streptomyces avermitilis MA4680.

Journal: Biotechnology and bioengineering 20100301

Title: Natural ortho-dihydroxyisoflavone derivatives from aged Korean fermented soybean paste as potent tyrosinase and melanin formation inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100201

Title: Isolation of 2,4,4'-trihydroxydeoxybenzoin and 3'-hydroxydaidzein from soybean miso.

Journal: Bioscience, biotechnology, and biochemistry 20100101

Title: 7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists.

Journal: Journal of medicinal chemistry 20091112

Title: A-ring ortho-specific monohydroxylation of daidzein by cytochrome P450s of Nocardia farcinica IFM10152.

Journal: Biotechnology journal 20091101

Title: Regioselective hydroxylation of isoflavones by Streptomyces avermitilis MA-4680.

Journal: Journal of bioscience and bioengineering 20090701

Title: ortho-dihydroxyisoflavone derivatives from aged Doenjang (Korean fermented soypaste) and its radical scavenging activity.

Journal: Bioorganic & medicinal chemistry letters 20080915

Title: Effects of various plant polyphenols on bladder carcinogen benzidine-induced mutagenicity.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20071001

Title: Quantitative determination of acetyl glucoside isoflavones and their metabolites in human urine using combined liquid chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20070622

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Metabolism of the soyabean isoflavone daidzein by CYP1A2 and the extra-hepatic CYPs 1A1 and 1B1 affects biological activity.

Journal: Biochemical pharmacology 20060828

Title: Prostatic fluid concentrations of isoflavonoids in soy consumers are sufficient to inhibit growth of benign and malignant prostatic epithelial cells in vitro.

Journal: The Prostate 20060401

Title: Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities.

Journal: Journal of natural products 20060101

Title: Isoflavones modulate the glucuronidation of estradiol in human liver microsomes.

Journal: Carcinogenesis 20051201

Title: DPPH radical-scavenging compounds from dou-chi, a soybean fermented food.

Journal: Bioscience, biotechnology, and biochemistry 20050501

Title: [Mechanism of mono-hydroxylation of daidzein in human liver microsomes].

Journal: Yao xue xue bao = Acta pharmaceutica Sinica 20041101

Title: Oxidative metabolism of the soy isoflavones daidzein and genistein in humans in vitro and in vivo.

Journal: Journal of agricultural and food chemistry 20010601

Title: Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography.

Journal: Journal of medicinal chemistry 20010215

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