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Daidzin

CAT: 0931-T2901-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T2901-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
552-66-9
Target
Dehydrogenase, Reverse Transcriptase, Mitochondrial Metabolism
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9943
Bioactivity
Daidzin (Daidzoside) is an isoflavone isolated from soya bean with anti-oxidant, anti-carcinogenic, and anti-atherosclerotic activities.
Smiles
OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O
Molecular Formula
C21H20O9
Molecular Weight
416.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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CatalogName
T1238-01Daidzein
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TN8478-018-Geranyl daidzein
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TN3752Daidzein 7-O-glucuronide
TN3750Daidzein-4',7-diglucoside
T124365-01Daidzein 4?,7-dirhamnoside

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CatalogName
TB0007Daidzin

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