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(R) -Equol

CAT: 0013-GTR19175590-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19175590-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) - (+) -Equol is a potent and selective agonist for estrogen receptors ERα and ERβ, exhibiting binding affinities (Ki) of 27.4 nM and 15.4 nM, respectively. This bioactive isoflavandiol metabolite is widely used in research to investigate estrogen signaling pathways in both cellular assays and animal models of endocrinology and oncology.
CAS Number
221054-79-1
Product Name Alternative
ProgestogenReceptor, progestogen Receptor, (R) Equol, (R) -Equol, (R) Equol, (+) -Equol, Inhibitor, ERβ, ERα, Equol, Estrogen Receptor, Estrogen Receptor/ERR, EstrogenReceptor, inhibit
Field of Research
Metabolism Research
Purity
99.04% (May vary between batches)
Solubility
DMSO:100 mg/mL (412.76 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (16.51 mM)
Smiles
OC1=CC=C (C=C1) [C@@H]1COC2=C (C1) C=CC (O) =C2
Molecular Formula
C15H14O3
Molecular Weight
242.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Equol

(R)-Equol is a member of hydroxyisoflavans.

CAS Number221054-79-1
PubChem CID6950272
IUPAC Name(3R)-3-(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
C1[C@@H](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/t12-/m0/s1
InChIKey
ADFCQWZHKCXPAJ-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of (+)-Equol
CAS: 221054-79-1
CID: 6950272
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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