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Formononetin

Formononetin structure

CAS No:
485-72-3
Formula:
C16H12O4
Chemical Name:
Formononetin
Synonyms:
4H-1-Benzopyran-4-one,7-hydroxy-3-(4-methoxyphenyl)-;Formononetin;Isoflavone,7-hydroxy-4′-methoxy-;7-Hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one;7-Hydroxy-4′-methoxyisoflavone;Biochanin B;Formononetol;Daidzein 4′-methyl ether;NSC 93360;Flavosil;Formonetin;7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one;Myconate;Formonentin;6-Demethoxyafromosin;Mycotech;Myconate HB;Neochanin
Categories:
Cosmetic Ingredient > Antioxidant Ingredient

Description

Formononetin (Formononetol; Flavosil) is a bioactive component extracted from the red clover; inhibits the proliferation of DU-145/PC-3 cells in a dose-dependent manner.IC50 value:Target: anti-cancer in vitro: formononetin inhibited the proliferation of DU-145 cells in a dose-dependent manner. DU-145 cells treated with different concentrations of formononetin displayed obvious morphological changes of apoptosis under fluorescence microscopy. In addition, formononetin increased the propor

Solid

Formononetin is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. It has a role as a phytoestrogen and a plant metabolite. It is a member of 7-hydroxyisoflavones and a member of 4'-methoxyisoflavones. It derives from a daidzein. It is a conjugate acid of a formononetin(1-).|Formononetin is under investigation in clinical trial NCT02174666 (Isoflavone Treatment for Postmenopausal Osteopenia.).

Formononetin Basic Attributes

Molecular Weight：

268.26400

Exact Mass：

268.26

EC Number：

207-623-9

UNII：

295DQC67BJ

NSC Number：

93360

DSSTox ID：

DTXSID4022311

HScode：

2932999099

Characteristics

PSA：

59.67000

XLogP3：

2.8

Appearance：

Solid

Density：

1.329 g/cm3

Melting Point：

256.5 °C

Boiling Point：

479.4ºC at 760 mmHg

Flash Point：

183.4±22.2 °C

Refractive Index：

1.641

Water Solubility：

157.3 mg/L @ 25 °C (est)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

8.17E-10mmHg at 25°C

Collision Cross Section：

176.14 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|169.04 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|156.8 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]|168.5 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P337 + P313

Hazard Statements：

H315-H319-H335

Drug Information

MeSH：

Compounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS. (See all compounds classified as Phytoestrogens.)

Metabolism/Metabolites：

Formononetin has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid and Daidzein.

MeSH Entry Terms：

formononetin

Formononetin Use and Manufacturing

Uses

A kind of isoflavones in red clover. It has a certain effect on preventing breast cancer, prostate cancer, colon cancer, improving osteoporosis and improving women's menopausal symptoms; it has antibacterial, antifungal, cholesterol-lowering and estrogen-like effects. It has the effect of lowering blood lipids in experimental animals. Clinically used as a diuretic.

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:268.26
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:268.07355886
Monoisotopic Mass:268.07355886
Topological Polar Surface Area:55.8
Heavy Atom Count:20
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Resorcinol

Dimethylformamide

Downstream Products

Formic acid

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Guide of Formononetin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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Formononetin

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