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Equol

CAT: 0013-GTR19162122-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162122-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Equol , a metabolite of soybeans, is an important isoflavone in humans, specifically binds to 5α-DHT, has a modest affinity for recombinant estrogen receptor ERβ. Phase 2.
CAS Number
531-95-3
Product Name Alternative
4',7-Dihydroxyisoflavan | (?) -Equol | 4',7-Isoflavandiol
Purity
>98% (HPLC)
Solubility
DMSO:48 mg/mL (198.12 mM) ; Ethanol:48 mg/mL (198.12 mM) ; Water:<1 mg/mL (<1 mM)
Smiles
C1[C@H] (c2ccc (cc2) O) Cc2ccc (cc2O1) O
Molecular Formula
C15H14O3
Molecular Weight
242.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) -3,4-Dihydro-3- (4-hydroxyphenyl) -2H-1-benzopyran-7-ol

Chemical Information

Equol

Equol is a member of hydroxyisoflavans.

CAS Number531-95-3
PubChem CID91469
IUPAC Name(3S)-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-/m1/s1
InChIKey
ADFCQWZHKCXPAJ-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Equol
CAS: 531-95-3
CID: 91469
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

Alternative Products

CatalogName
YP-W44038-01Equol (equol) ELISA Kit
B3081-5(-)-Equol
M14893-01Equol
S6601-5mg(±) -Equol
MBS3609267-01(+/-)-Equol

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