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Heterocyclic compounds

Daidzin

Also known as Daidzoside, Daidzein 7-O-glucoside, Daidzein 7-glucoside

CAS 552-66-9Formula C21H20O9Molar mass 416.38 g/molEC 611-245-3
GHS signal word: Warning. Pictograms: Harmful or irritant 20 suppliers listed
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Daidzin chemical structure, C21H20O9, CAS 552-66-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
552-66-9
Formula
C21H20O9
Molar mass
416.38 g/mol
EC number
611-245-3
HS code
293299
Category
Heterocyclic compounds

What is Daidzin?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CAS number
552-66-9 CAS number cross-checked
EC number
611-245-3
Molecular formula
C21H20O9
UNII
4R2X91A5M5
MDL number
MFCD00017466
InChIKey
KYQZWONCHDNPDP-QNDFHXLGSA-N
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
Canonical SMILES
O=c1c(-c2ccc(O)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12
Isomeric 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

Synonyms

  • Daidzoside
  • Daidzein 7-O-glucoside
  • Daidzein 7-glucoside
  • Daidzein-7-glucoside
  • daidzein 7-O-beta-D-glucoside
  • 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 3-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
  • 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one
  • 7-O-glucosyl-4'-hydroxyisoflavone
  • 3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-4H-chromen-4-one
  • 3-(4-hydroxyphenyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
  • 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 3-(4-hydroxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
  • DZN
  • daidzein-7-o-glucoside
  • 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
  • NPI 031D
  • Daidzin?
  • 2vle
  • Daidzin (Standard)
  • Daidzin, analytical standard
  • 4-18-00-01808 (Beilstein Handbook Reference)
  • Daidzein daidzin
  • ACon1_002092
  • Daidzein 7-O-?-D-glucopyranoside
Show all 30 synonyms
  • Daidzin, >=95.0% (HPLC)
  • Daidzein 7-O-beta-D-glucopyranoside
  • 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 7,4a(2)-Dihydroxyisoflavone 7-glucoside
  • 4',7-Dihydroxyisoflavone 7-O-b-D-glucopyranoside

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
416.38 g/molcalc.
Exact mass
416.1107 Dacalc.
LogP (octanol/water)
0.34calc.
Topological polar surface area
149.8 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1c(-c2ccccc2)coc2cc(OC3CCCCO3)ccc12

O=c1c(-c2ccccc2)coc2cc(OC3CCCCO3)ccc12

4 rings, 24 atoms.

64 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Daidzin suppliers

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Where suppliers are based

20 suppliers in 6 countries

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Daidzin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Alcohol Deterrents
  • Enzyme Inhibitors

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Daidzin is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Daidzin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Daidzin, based on the data on this page

What is 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.

What is the CAS number of Daidzin?

The CAS registry number of Daidzin is 552-66-9.

What is the molecular formula and weight of Daidzin?

The molecular formula of Daidzin is C21H20O9 and its molar mass is 416.38 g/mol.

What is Daidzin used for?

Known uses and roles of Daidzin include biochemical and pharmacological tools in research and laboratory, eukaryotic metabolite, metabolite, plant metabolite, alcohol deterrents and 1 more.

Is Daidzin hazardous?

Daidzin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Daidzin?

Daidzin is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Daidzin?

CompoundList lists 20 suppliers of Daidzin in China, United States, Switzerland, Germany and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Daidzin?

Suppliers quote Daidzin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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