3D Mol Similar

(+)-CATECHIN HYDRATE

: Iupac Name：(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate; CAS No.: 225937-10-0; Molecular Weight：308.29; Modify Date.: 2022-12-10 13:36; Introduction:
(+)-CATECHIN HYDRATE, with the chemical formula C15H14O6 and CAS registry number 225937-10-0, is a compound known for its antioxidant and anti-inflammatory properties. This compound is a flavanol found in various plants, including green tea and cocoa. (+)-CATECHIN HYDRATE has been studied for its potential health benefits, such as reducing the risk of cardiovascular diseases and improving cognitive function. It is also known for its ability to scavenge free radicals and inhibit oxidative stress. This compound has shown promise in the prevention and treatment of various diseases, including cancer, diabetes, and neurodegenerative disorders. Further research is ongoing to explore its therapeutic potential and mechanisms of action. Overall, (+)-CATECHIN HYDRATE is a valuable compound with diverse applications in the fields of medicine, nutrition, and cosmetics.
View more+

Request For Quotation

1. Names and Identifiers

: 1.1 Name; (+)-CATECHIN HYDRATE; 1.2 Synonyms; (+)-C （＋）－Catechin Hydrate (+)-Cyanidol-3 (+)-Cyanidol-3,(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (1:1) (2R,3S)-2-(3,4-Dihydroxyphenyl)-chroman-3,5,7-triol hydrate (2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol hydrate (2R,3S)-2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol hydrate (1:1) (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate 2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (1:1) 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-, hydrate (1:1) 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, hydrate (1:1) 2-keto-4-methyl-6-phenyl-3,6-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester 4-methyl-2-oxo-6-phenyl-3,6-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester BAS 00381104 Catechin Hydrate Cefixoral-13C,15N2 CYANIDOL HYDRATE D-CATECHIN D-CATECHIN HYDRATE D-CATECHOL HYDRATE EINECS 230-731-2 EU-0067758 FK-027-13C,15N2 FR- 17027-13C,15N2 MFCD00150865; View all

1.3 CAS No.: 225937-10-0

1.4 CID: 107957

1.5 EINECS(EC#): 684-232-3

1.6 Molecular Formula: C15H16O7 (isomer)

1.7 Inchi: InChI=1/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/s2

1.8 InChIkey: OFUMQWOJBVNKLR-BYSCGGDUNA-N

1.9 Canonical Smiles: O.O[C@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

1.10 Isomers Smiles: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.O

2. Properties

2.1 Melting point: 175-177?°C (anhydrous)(lit.)

2.1 Boiling point: 630.4 °C at 760 mmHg

2.1 Flash Point: 335 °C

2.1 Vapour Pressure: 9.29E-17mmHg at 25°C

2.2 Precise Quality: 290.07900

2.2 PSA: 110.38000

2.2 logP: 1.54610

2.2 Solubility: ethanol: soluble50mg/mL

2.3 Appearance: yellow to yellow with tan cast

2.4 Color/Form: Powder

2.5 Water Solubility: ethanol: soluble 50mg/mL

2.6 StorageTemp: 2-8°C

3. Safety and Handling

3.1 Symbol: GHS07

3.1 Hazard Codes: Xi

3.1 Signal Word: Warning

3.1 Risk Statements: 36/37/38

3.1 Safety Statements: 26-36

3.1 Hazard Declaration: H315-H319-H335

3.1 RIDADR: NONH for all modes of transport

3.1 Caution Statement: P261-P305 + P351 + P338

3.1 WGK Germany: 3

3.1 Safety: Hazard Codes:?Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 8-10-23

3.2 Specification: ?(+)-Catechin hydrate , its cas register number is?225937-10-0. It also can be called (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol hydrate .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	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. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

6. Other Information

6.0 Merck: 13,1912

6.1 BRN: 3595244

6.2 体外研究: (+)-Catechin exhibits >95% inhibitory activity at 70 μg/mL against cyclooxygenase-1 (COX-1) with an IC ₅₀ of 1.4 μM. A dose-dependent reduction in color is observed after 24 hours of treatment with (+)-Catechin, and 54.76% of the cells are dead at the highest concentration of (+)-Catechin tested (160 μg/mL) whereas the IC ₅₀ of (+)-Catechin is achieved at 127.62 μg/mL (+)-Catechin. A dose- and time-dependent increase in the induction of apoptosis is observed when MCF-7 cells are treated with (+)-Catechin. When compare to the control cells at 24 hours, 40.7 and 41.16% of the cells treated with 150 μg/mL and 300 μg/mL (+)-Catechin, respectively, undergo apoptosis. The expression levels of Caspase-3 , -8 , and -9 and p53 in MCF-7 cells treated with 150 μg/mL (+)-Catechin for 24 h increase by 5.81, 1.42, 3.29, and 2.68 fold, respectively, as compare to the levels in untreated control cells.; View all

6.3 体内研究: Animals treated with (+)-Catechin at the lowest tested dose, i.e., 50 mg/kg, p.o. have spent comparatively more time in exploring the novel object in the choice trial, however, the difference is not statistically significant. (+)-Catechin prevents the time-induced episodic memory deficits in a dose-dependent manner, the most effective being 200 mg/kg, p.o.. Treatment with (+)-Catechin prevents the rise in MPO level compare to DOX alone treatment group (21.98±9.44 and 36.76±4.39% in the hippocampus and the frontal cortex respectively).

6.4 Uses

(+)-Catechin hydrate can be used:

As an inhibitor of steel corrosion in hydrochloric acid solution.
As a model compound in the study of antimicrobial activities of flavonoids on Escherichia coli.
As a starting material for the synthesis of catechin glucosides of biological importance.

6.5 Uses

(+)-Catechin hydrate has been used:

as a polyphenol standard in the determination of total polyphenols in the by-products of red wine
as an additive to study its effects on in vitro methane production and substrate degradation in a triple-fed batch approach
as a substrate to determine the activity of pure L. plantarum CECT 748T 14 recombinant tannase on catechin

6.6 General Description: Catechin hydrate is a polyphenolic flavonoid that exhibits antioxidant properties. It is commonly found in green tea, grape seeds, and bark of few trees like acacia and mahogany.

6.7 Biochem/physiol Actions: An antioxidant flavonoid of plant origin; a free radical scavenger, preventing free radical-mediated damage in a variety of biological systems. For example, at physiological pH catechin suppressed DNA strand breaks by hydroxyl radicals. It has also been shown to prevent human plasma oxidation. It delayed the consumption of endogenous lipid-soluble antioxidants and inhibited lipid oxidation. Catechin may also function as an inhibitor of fatty acid synthase.

7. Computational chemical data

Molecular Weight: 308.29g/mol
Molecular Formula: C₁₅H₁₆O₇
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 308.08960285
Monoisotopic Mass: 308.08960285
Complexity: 364
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 6
Hydrogen Bond Acceptor Count: 7
Topological Polar Surface Area: 111
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADBSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNNyKGMRqCeCGlwBULuAfA4PwOIAABCAAIQABAAAIQABCAAAAAAAAAAA==

8. Recommended Suppliers

Global55Suppliers View all >>

Henan Tianfu Chemical Co.,Ltd Diamond member

2YRS

Products:Medical Intermediate,Lithium Battery Additive,Organicetc Chemical, Organic Chemical, Paint Chemical and Detergent Chemical etc..
Tel:0086-0371-55170693
Email:info@tianfuchem.com

(+)-CATECHIN HYDRATE

Purity:99%Packing: 200kg/bag FOB
Price: 100 USD/kilogram
Time: 2024/04/28

Inquire

Xiamen Zhongyuan Hongye Chemical Co., Ltd. Audited Suppliers

Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences
Tel:+86-0592-5567629

High quality Poloxamer supplier in China

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2021/07/13

Inquire

Chengdu Gelipu Botechnology co.,ltd Audited Suppliers

Products:Specialize in fine chemicals,mainly manufacture pure botanical monomers ; Traditional Chinese Medicine references standards;Chemical reagents
Tel:86-28-82610909

(+)-Catechin,≥98% by HPLC