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(±) -Equol (Standard)

CAT: 0804-HY-100583AR-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100583AR-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) -Equol (Standard) is the analytical standard of (±) -Equol. This product is intended for research and analytical applications. (±) -Equol is the racemate of equol. (±) -equol exhibits EC50s of 200 and 74 nM for human ERα and ERβ, respectively. Equol is a metabolite of the soy isoflavones, daidzin and daidzein.
CAS Number
94105-90-5
UNSPSC
12352005
Target
Drug Metabolite; Estrogen Receptor/ERR; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer; Neurological Disease; Cardiovascular Disease
Smiles
OC1=CC=C2CC(C3=CC=C(O)C=C3)COC2=C1
Molecular Formula
C15H14O3
Molecular Weight
242.27
References & Citations
[1]Axelson M, et al. The identification of the weak oestrogen equol [7-hydroxy-3- (4'-hydroxyphenyl) chroman] in human urine. Biochem J. 1982 Feb 1;201 (2) :353-7.|[2]Setchell KD, et al. S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81 (5) :1072-9. human intestinal bacterial flora.|[3]Wang J, et al. Equol promotes rat osteoblast proliferation and differentiation through activating estrogen receptor. Genet Mol Res. 2014 Jul 4;13 (3) :5055-63.|[4]Gimenez I, et al. Renal and vascular actions of equol in the rat. J Hypertens. 1997 Nov;15 (11) :1303-8.|[5]Choi EJ, et al. Anticancer mechanism of equol in 7,12-dimethylbenz (a) anthracene-treated animals. Int J Oncol. 2011 Sep;39 (3) :747-54.|[6]Charoenthongtrakul S, et al. Enhanced gastrointestinal motility with orally active ghrelin receptor agonists. J Pharmacol Exp Ther. 2009;329 (3) :1178-1186.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

4',7-Dihydroxy-3,4-dihydroisoflavone

3-(4-Hydroxyphenyl)chroman-7-ol is a member of hydroxyisoflavans.

CAS Number94105-90-5
PubChem CID382975
IUPAC Name3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP3
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2
InChIKey
ADFCQWZHKCXPAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4',7-Dihydroxy-3,4-dihydroisoflavone
CAS: 94105-90-5
CID: 382975
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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