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(±) -Equol

CAT: 1410-M19273-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M19273-01Size:5 mg
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Description
Equol is a non-steroidal estrogen produced from the metabolism of the isoflavonoid phytoestrogen daidzen by human intestinal microflora.
CAS Number
94105-90-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
242.3
Molecular Formula
C15H14O3
Notes
Research use only, not for human use.
Receptor
ERα| ERβ

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

Alternative Products

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YP-W44038-01Equol (equol) ELISA Kit
B1514-5.1Equol
B3081-5(-)-Equol
S6601-5mg(±) -Equol
MBS3609267-01(+/-)-Equol

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