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Home> Encyclopedia >Herbal Extract>Pharmaceutical Intermediates>Organic Intermediate
Daidzein structure
Daidzein structure


Iupac Name:7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CAS No.: 486-66-8
Molecular Weight:254.241
Modify Date.: 2022-10-26 20:47
Introduction: Inactive analog of Genistein (Cat. #G350000). Blocks the G1 phase of the cell cycle in Swiss 3T3 cells by inhibiting casein kinase II activity1.Daidzein has also been shown to inhibit the action of GABA on recombinant GABAA receptors2.uv max:250 nm (log e 4.44) View more+
1. Names and Identifiers
1.1 Name
1.2 Synonyms

4',7-Dihydroxyisoflavone 4,7-Dihydroxyisoflavone(Daidzein) 4’,7-dihydroxy-isoflavon 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)- 7,4'-dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxy phenyl) chromone 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one (7-Hydroxy-3-(4-hydroxyphenyl)chromone 7-Hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidsein DAIDZEIN, (AMERICAN HERBAL PHARMACOPOEIA) DAIDZEIN:4',7-DIHYDROXY ISOFLAVONE Daidzeol Daizeol EINECS 207-635-4 isoaurostatin K 251-6 k251b MFCD00016954 Soybean Extract Tatoin

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C15H10O4 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
315-323oC (dec.)
2.1 Boiling point
512.8 °C at 760 mmHg
2.1 Refractive index
2.1 Flash Point
201.2 °C
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
DMSO: 10?mg/mL
2.2 Appearance
white to off-white crystalline powder
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
Off-White Crystalline Solid
2.5 Color/Form
2.6 Physical
2.7 pKa
2.8 Water Solubility
2.9 Stability
Stable under normal shipping and handling conditions.
2.10 StorageTemp
3. Use and Manufacturing
3.1 Definition
ChEBI: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.
3.2 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 36 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 3 of 36 companies. For more detailed information, please visit ECHA C&L website

Of the 4 notification(s) provided by 33 of 36 companies with hazard statement code(s):

H315 (96.97%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (96.97%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
3.3 Usage
Inactive analog of Genistein (Cat. #G350000). Blocks the G1 phase of the cell cycle in Swiss 3T3 cells by inhibiting casein kinase II activity1.Daidzein has also been shown to inhibit the action of GABA on recombinant GABAA receptors2.uv max:250 nm (log e 4.44)
4. Safety and Handling
4.1 Symbol
4.1 Hazard Codes
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Hazard Class
4.1 Hazard Declaration
H315; H319
4.1 Caution Statement
P280-P305 + P351 + P338-P337 + P313
4.1 WGK Germany
4.1 Safety

Hazard Codes:?IrritantXi
Risk Statements: 36/38
R36/38:Irritating to eyes and skin.
Safety Statements: 24-26-37/39
S24:Avoid contact with skin.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: DJ3100040

4.2 Specification

? Daidzein , with CAS number of 486-66-8, can be called 4',7-dihydroxyisoflavone ; Cyproheptadine ; 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)- ; 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone ; 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one ; 7,4-Dihydroxyisoflavone . Daidzein (CAS NO.486-66-8) is one of several known isoflavones, which are found in a number of plants and herbs like the Thai Kwao Krua or Pueraria Mirifica, but soybeans and soy products like tofu and textured vegetable protein are the primary food source. Soy isoflavones are a group of compounds found in and isolated from the soybean. Besides functioning as antioxidants, many isoflavones have been shown to interact with animal and human estrogen receptors, and are therefore known as phytoestrogens. Soy isoflavones also produce non-hormonal effects.

4.3 Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg) ? Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.


2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.





2.3 Other hazards which do not result in classification


9. Other Information
9.0 Description
Daidzein mainly comes from leguminous plants, the seeds of soybean (dadou), red clover grass, or all Pueraria roots. Its medicinal value was first recorded in Shen Nong Ben Cao Jing 2838 BC.?Daidzein, one of the main soy isoflavones, is also the main component of radix puerariae (Gegen) which is the dry root of kudzu leguminous plants. Radix puerariae can reduce fever, produce saliva, and relieve diarrhea. Its chemical composition is complicated, including puerarin, xyloside, soy flavonoids, soybean flavonoid glycosides, beta-sitosterol, daidzin, daidzein. The main effective components are puerarin and daidzein
9.1 Description
Daidzein is an isoflavone phytoestrogenic compound that has been found in soybeans and other legumes. It binds to estrogen receptor β (ERβ; Ki = 2.8 μM) but not ERα at concentrations up to 1 mM. It is estrogenic in vitro, increasing gene transcription mediated by the estrogen response element (ERE) in a reporter assay in an ERβ-dependent manner (EC50 = 2.8 μM for MCF-7 cells expressing ERβ). Daidzein is an inhibitor of carbonic anhydrase (CA) that is selective for carbonic CAVII and CAXII (Kis = 4.2 and 56 nM, respectively) over CAI, II, and IV (Kis = >10,000, >10,000, and 718.7 nM, respectively). It reduces tumor growth in a PC3 prostate cancer mouse orthotopic model when administered at a dose of 50 mg/kg per day and potentiates the effects of radiation therapy.
9.2 Physical properties
Appearance: pale-yellow prismatic crystal. Melting point: 315–323?°C. Solubility: soluble in ethanol and ether
9.3 History
Daidzein is a kind of isoflavone compound, which was first synthetized by researchers in China. It has been widely used in drugs, food supplements, and cosmetics. Because of two phenolic hydroxyl structures, Daidzein has poor water solubility, poor liposolubility, and strong first-pass effect, leading to the low bioavailability of oral absorption, which limits its widely clinical usage.
Ipriflavone is a kind of isoflavone modified from Daidzein, which has been used for the treatment of osteoporosis in Japan and some European countries. The effects of a series of amino alkoxy derivatives of ipriflavones on inhibiting the bone absorption were evaluated. The researchers found that 7-amino alkoxy derivative works best. When Daidzein was alkylated or acylated at 7-hydroxyl selectively, the stability was increased, and thus the proliferation of MCF-7 cell was inhibited.
9.4 Indications
Daidzein is mainly used for the treatment of hypertension, coronary heart disease, cerebral thrombosis, and vertigo and aids in the treatment of sudden deafness. It can also treat women with menopause syndrome.
9.5 General Description
Daidzein is an endocrine-active estrogenic isoflavone. This phytoestrogen is capable to bind to estrogen to exert estrogenic effects in vivo. It can naturally be found in soybean seed and flour.
9.6 Merck
9.7 BRN
9.8 Chemical Properties
Off-White Crystalline Solid
9.9 Uses
Inactive analog of Genistein (Cat. #G350000). Blocks the G1 phase of the cell cycle in Swiss 3T3 cells by inhibiting casein kinase II activity1. Daidzein has also been shown to inhibit the action of GABA on recombinant GABAA receptors2. uv max:250 nm (log e 4.44)
9.10 Uses
Daidzein belongs to the group of isoflavones. Daidzein and other isoflavone compounds, such as genistein, are present in a number of plants and herbs. Soy isoflavones are a group of compounds found in and isolated from the soybean. Besides functioning as
9.11 Uses
9.12 Definition
ChEBI: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.
9.13 Biological Activity
Analog of the phytoestrogen genistein (5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ). Blocks G 1 phase cell cycle progression and is an agonist at estrogen receptors.
9.14 Usage
4',7-Dihydroxyisoflavone is a phytoestrogen that is suggested to play a role in preventing hormone-induced cancers. It protects against oxidative damage in liver cells induced by 7,12-dimethylbenz[a]anthracene (DMBA). Catalase and superoxide dismutase activity, down-regulated by DMBA, was restored by daidzein.
9.15 Usage
Analog of genistein and an agonist at estrogen recpetors
10. Computational chemical data
  • Molecular Weight: 254.241g/mol
  • Molecular Formula: C15H10O4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 2.5
  • Exact Mass: 254.05790880
  • Monoisotopic Mass: 254.05790880
  • Complexity: 382
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 66.8
  • Heavy Atom Count: 19
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
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