Products for Research Use Only
RegisterLogin

Daidzin

CAT: 0926-MD08124-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MD08124-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
552-66-9
Synonyms
Daidzein 7-O-β-D-glucopyranoside;7- (β-D-glucopyranosyloxy) -3- (4-hydroxyphenyl) -4H-benzopyran-4-one
MDL Number
MFCD00017466
Smiles
C1=CC (=CC=C1C2=COC3=C (C2=O) C=CC (=C3) O[C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) O) O
Molecular Formula
C21H20O9
Molecular Weight
416.38 g/mol
Controlled
No

Chemical Information

Daidzin

Daidzein 7-O-beta-D-glucoside is a glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic). It has a role as a plant metabolite. It is a 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone and a monosaccharide derivative. It is functionally related to a daidzein.

CAS Number552-66-9
PubChem CID107971
IUPAC Name3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O9
Molecular Weight416.4
XLogP0.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity644
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey
KYQZWONCHDNPDP-QNDFHXLGSA-N
Chemical Structure
2D Structure
2D structure of Daidzin
CAS: 552-66-9
CID: 107971
Formula: C21H20O9
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass416.11073221
Monoisotopic Mass416.11073221
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FD10005-01Daidzein
FD21914-01Dihydro daidzein
FD20778-01Daidzein diacetate
KNA59127-01Daidzein diglucuronide
ICA97069-01Daidzein-4'-glucoside
FD21537-017,4'-Dibenzyl daidzein
PKA23677-01Daidzein 4’-β-D-glucuronide
FD20777-01Daidzein bis-tert-butyldimethylsilyl ether
FD69724Daidzein 7,4'-di-O-glucoside
MD07335-01Daidzein 7-β-D-glucuronide potassium salt

Alternative Products

CatalogName
TB0007Daidzin

Popular Products