(±)-Catechin hydrate - ≥96% , CAS No.7295-85-4

CAS: 7295-85-4 Cat. No.: C107463 Peso molecular: 290.27 (anhydrous basis) Beilstein Registry Number: 92762 Número EC: 230-731-2

GRADE & PURITY ≥96%

Synonyms

(+)-Catechin-13C3 | AB00513926 | (?)-cis-3,3',4',5,7-Pentahydroxyflavane | DTXSID10859304 | (+)-3,3',4',5,7-Flavanpentol | DL-Catechin; Racemic catechin; dl-Catechin; dl-Catechol; rac-Catechin | FT-0604384 | FT-0613995 | FT-0614024 | trans-2-(3,4-Dihydrox

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Catechin is produced by Cutch tree and is abundantly found in tea leaves, grape seeds, vegetables and plant-based beverages. It is a plant-derived, polyphenolic anti-oxidant and acts as a plant secondary metabolite.

Specifications

Sinónimos

(+)-Catechin-13C3 | AB00513926 | (?)-cis-3, 3', 4', 5, 7-Pentahydroxyflavane | DTXSID10859304 | (+)-3, 3', 4', 5, 7-Flavanpentol | DL-Catechin; Racemic catechin; dl-Catechin; dl-Catechol; rac-Catechin | FT-0604384 | FT-0613995 | FT-0614024 | trans-2-(3, 4-Dihydrox

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

Polyphenolic antioxidant. Used in traditional Chinese medicine. Catechins are a plant derived polyphenolic anti-oxidants with phytotoxic properties. Racemic catechin may be used in studies on seed germination and plant invasiveness. Catechin and Epigall

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504750478
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750478
• Sonrisas canónicas: [H]O[H].O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
• InChIKey: PFTAWBLQPZVEMU-UHFFFAOYSA-N
• INCHI: 1S/C15H14O6/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
• Isómeros SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
• WGK Alemania: 3
• Peso molecular: 290.27 (anhydrous basis)
• Beilstein: 92762
• Reaxy-Rn: 6069926
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6069926&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavans
        • Level5 Flavan-3-ols
          • Level6 Catechins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Flavan-3-ols
• Direct Parent: Catechins
• Alternative Parents: 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids 3'-hydroxyflavonoids 1-benzopyrans Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Secondary alcohols Polyols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Catechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Polyol - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
• External Descriptors: a 2,3-cis-flavan-3-ol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CA7 Tclin Carbonic anhydrase 7 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLA2G7 Tchem LDL-associated phospholipase A2 (1338 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA3 Tclin Carbonic anhydrase III (753 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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AMY1A Salivary alpha-amylase (100 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5B Tclin Carbonic anhydrase VB (957 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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THP-1 (11052 Activities)

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HEK293 (82097 Activities)

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Monocyte (474 Activities)

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BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)

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CD38 Tclin Lymphocyte differentiation antigen CD38 (364 Activities)

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ACP1 Tchem Low molecular weight phosphotyrosine protein phosphatase (1161 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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RNASE1 Tchem Ribonuclease pancreatic (45 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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Objetivos asociados (no humanos)

NA Neuraminidase (1107 Activities)

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Ca7 Carbonic anhydrase VII (3 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Ca13 Carbonic anhydrase XIII (322 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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MAL62 Alpha-glucosidase MAL62 (106 Activities)

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Pseudomonas fluorescens (1630 Activities)

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Aspergillus niger (16508 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Fusarium oxysporum (3998 Activities)

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Trichoderma viride (1263 Activities)

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Giardia intestinalis (1290 Activities)

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Caenorhabditis elegans (1055 Activities)

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Meloidogyne incognita (862 Activities)

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Artemia (698 Activities)

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Rattus norvegicus (775804 Activities)

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HT-22 (3261 Activities)

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Xanthomonas campestris (200 Activities)

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Ca15 Carbonic anhydrase 15 (173 Activities)

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Erwinia amylovora (182 Activities)

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Pectobacterium carotovorum (295 Activities)

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Penicillium sp. (198 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Verticillium dahliae (119 Activities)

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Trichoderma reesei (106 Activities)

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Xanthogaleruca luteola (8 Activities)

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Epilachna (43 Activities)

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ureB Urease subunit alpha/Urease subunit beta (701 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air & Light & Heat sensitive
• Peso molecular: 290.270 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 290.079 Da
• Monoisotopic Mass: 290.079 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 364.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Kailing Li, Zhi Duan, Jingyan Zhang, Hongchang Cui.  (2022)  Growth kinetics, metabolomics changes, and antioxidant activity of probiotics in fermented highland barley-based yogurt.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2022.114239]

2. Jieyu Wu, Rongfa Guan, Haizhi Huang, Zhenfeng Liu, Haitao Shen, Qile Xia.  (2019)  Effect of catechin liposomes on the nitrosamines and quality of traditional Chinese bacon.  Food & Function,  10  (2): (625-634).  [PMID:30648707] [10.1039/C8FO01677A]

3. Dunchao Wu, Yufei He, Juanshu Wen, Hongfa Zheng, Xi Zhao, Penghui Yu, Ni Zhong, Li Niu, Shi Li, Yong Lin, Hao Huang, Zhonghua Liu.  (2026)  Multidimensional Analysis Reveals the Flavor Quality Formation Mechanism During the Primary Pile Fermentation of Dark Tea.  Foods,  15  (2): (212).  [PMID:41596811] [10.3390/foods15020212]