CAS 17817-31-1 | 4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-(4-hydroxyphenyl)- | CAS Number 17817-31-1

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17817-31-1 | 4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-(4-hydroxyphenyl)-

CAS No: 17817-31-1 Catalog No: AG0025TI MDL No:MFCD00016953

Product Description

Catalog Number:

AG0025TI

Chemical Name:

4H-1-Benzopyran-4-one, 6,7-dihydroxy-3-(4-hydroxyphenyl)-

CAS Number:

17817-31-1

Molecular Formula:

C15H10O5

Molecular Weight:

270.2369

MDL Number:

MFCD00016953

IUPAC Name:

6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one

InChI:

InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H

InChI Key:

GYLUFQJZYAJQDI-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1)c1coc2c(c1=O)cc(c(c2)O)O

UNII:

PLM2K574GE

Properties

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.24g/mol

Monoisotopic Mass:

270.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

87A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

Literature

Title	Journal
6,7,4'-trihydroxyisoflavone inhibits HCT-116 human colon cancer cell proliferation by targeting CDK1 and CDK2.	Carcinogenesis 20110401
Chemometric modeling of free radical scavenging activity of flavone derivatives.	European journal of medicinal chemistry 20101101
[Chemical constituents of bear bile].	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100901
Red clover extract: a source for substances that activate peroxisome proliferator-activated receptor alpha and ameliorate the cytokine secretion profile of lipopolysaccharide-stimulated macrophages.	Menopause (New York, N.Y.) 20100301
Potential health-modulating effects of isoflavones and metabolites via activation of PPAR and AhR.	Nutrients 20100301
Natural ortho-dihydroxyisoflavone derivatives from aged Korean fermented soybean paste as potent tyrosinase and melanin formation inhibitors.	Bioorganic & medicinal chemistry letters 20100201
7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists.	Journal of medicinal chemistry 20091112
A-ring ortho-specific monohydroxylation of daidzein by cytochrome P450s of Nocardia farcinica IFM10152.	Biotechnology journal 20091101
Inhibitory effect of flavonoids on 26S proteasome activity.	Journal of agricultural and food chemistry 20091028
Isolation of a new metabolite from biotransformation of daidzein by Aspergillus oryzae.	Bioscience, biotechnology, and biochemistry 20090801
An updated review of tyrosinase inhibitors.	International journal of molecular sciences 20090601
Receptor binding and transactivation activities of red clover isoflavones and their metabolites.	The Journal of steroid biochemistry and molecular biology 20081101
ortho-dihydroxyisoflavone derivatives from aged Doenjang (Korean fermented soypaste) and its radical scavenging activity.	Bioorganic & medicinal chemistry letters 20080915
Estrogenic activities of isoflavones and flavones and their structure-activity relationships.	Planta medica 20080101
Red clover extract: a putative source for simultaneous treatment of menopausal disorders and the metabolic syndrome.	Menopause (New York, N.Y.) 20080101
Structure-activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2.	Bioorganic & medicinal chemistry 20071201
In vitro and in vivo metabolism of the soy isoflavone glycitein.	Molecular nutrition & food research 20070701
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	Journal of molecular graphics & modelling 20061101
Metabolism of the soyabean isoflavone daidzein by CYP1A2 and the extra-hepatic CYPs 1A1 and 1B1 affects biological activity.	Biochemical pharmacology 20060828
Prostatic fluid concentrations of isoflavonoids in soy consumers are sufficient to inhibit growth of benign and malignant prostatic epithelial cells in vitro.	The Prostate 20060401
Isoflavones modulate the glucuronidation of estradiol in human liver microsomes.	Carcinogenesis 20051201
Identifying 6,7,4'-trihydroxyisoflavone as a potent tyrosinase inhibitor.	Bioscience, biotechnology, and biochemistry 20051001
DPPH radical-scavenging compounds from dou-chi, a soybean fermented food.	Bioscience, biotechnology, and biochemistry 20050501
Novel tempeh (fermented soyabean) isoflavones inhibit in vivo angiogenesis in the chicken chorioallantoic membrane assay.	The British journal of nutrition 20050301
[Mechanism of mono-hydroxylation of daidzein in human liver microsomes].	Yao xue xue bao = Acta pharmaceutica Sinica 20041101
Isolation of 8-hydroxyglycitein and 6-hydroxydaidzein from soybean miso.	Bioscience, biotechnology, and biochemistry 20040601
Genistein and daidzein induce cell proliferation and their metabolites cause oxidative DNA damage in relation to isoflavone-induced cancer of estrogen-sensitive organs.	Biochemistry 20040309
Evidence for the involvement of human liver microsomes CYP1A2 in the mono-hydroxylation of daidzein.	Clinica chimica acta; international journal of clinical chemistry 20030801
Antimutagenic activity of 8-hydroxyisoflavones and 6-hydroxydaidzein from soybean miso.	Bioscience, biotechnology, and biochemistry 20030401
Fatty acid synthase inhibitors from plants: isolation, structure elucidation, and SAR studies.	Journal of natural products 20021201
Oxidative metabolism of the soy isoflavones daidzein and genistein in humans in vitro and in vivo.	Journal of agricultural and food chemistry 20010601
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.	Chemical research in toxicology 20010301
Flavonoid 6-hydroxylase from soybean (Glycine max L.), a novel plant P-450 monooxygenase.	The Journal of biological chemistry 20010119