(-)Epicatechin gallate is a polyphenol apoptosis inducer in tumor cells commonly found in green tea. Studies suggest that (-)Epicatechin gallate causes anti-proliferative and anti-inflammatory effects on pancreatic ductal adenocarcinoma cells. Alternate s

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528752736

Sourires canoniques

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

IUPAC Name

[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

InChIKey

LSHVYAFMTMFKBA-TZIWHRDSSA-N

INCHI

1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1

Isomères SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

WGK Allemagne

RTECS

DH9030000

CAS alternatif

1257-08-5

Termes d'entrée MeSH

epicatechin gallate;epicatechin gallate, (2R-cis)-isomer;epicatechin-3-gallate;epicatechin-3-galloyl ester;epicatechin-3-O-gallate

Poids moléculaire

442.37

Reaxy-Rn

372029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=372029&ln=

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📋 Safety Data Sheet (SDS)

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Classe Flavonoids
    - Subclass Flavans
      - Level5 Flavan-3-ols
        Level6 Catechins
        Level7 Catechin gallates

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	Flavonoids
Subclass	Flavans
Intermediate Tree Nodes	Flavan-3-ols - Catechins
Direct Parent	Catechin gallates
Alternative Parents	3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Pyrogallols and derivatives Benzoyl derivatives Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Catechin gallate - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Catechol - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.
External Descriptors	Flavans, Flavanols and Leucoanthocyanidins
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

Structure 3D

Cibles associées (humaines)

ELAVL3 Tchem ELAV-like protein 3 (1 Activities)

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

RAD52 Tchem DNA repair protein RAD52 homolog (2 Activities)

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PSMB5 Tclin Proteasome subunit beta type-5 (1 Activities)

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

BCL2 Tclin Apoptosis regulator Bcl-2 (2 Activities)

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

PGD Tchem 6-phosphogluconate dehydrogenase, decarboxylating (1 Activities)

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

DHFR Tclin Dihydrofolate reductase (3072 Activities)

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

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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OPRM1 Tclin Mu opioid receptor (19785 Activities)

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OPRD1 Tclin Delta opioid receptor (15096 Activities)

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OPRK1 Tclin Kappa opioid receptor (16155 Activities)

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CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

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

MAPK14 Tchem MAP kinase p38 alpha (12866 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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DAPK1 Tchem Death-associated protein kinase 1 (1664 Activities)

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MET Tclin Hepatocyte growth factor receptor (10718 Activities)

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FASN Tchem Fatty acid synthase (3390 Activities)

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PGD Tchem 6-phosphogluconate dehydrogenase (58 Activities)

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DYRK1A Tchem Dual-specificity tyrosine-phosphorylation regulated kinase 1A (6484 Activities)

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ADAMTS4 Tchem ADAMTS4 (425 Activities)

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ADAMTS5 Tchem ADAMTS5 (711 Activities)

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

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Caco-2 (12174 Activities)

Lot Number	Certificate Type	Date	Article
A2630483	Certificate of Analysis	Feb 11, 2026	E101659
A2630485	Certificate of Analysis	Feb 11, 2026	E101659
A2630486	Certificate of Analysis	Feb 11, 2026	E101659
H2522520	Certificate of Analysis	Aug 30, 2025	E101659
H2522521	Certificate of Analysis	Aug 30, 2025	E101659
H2522522	Certificate of Analysis	Aug 30, 2025	E101659
B2527389	Certificate of Analysis	Mar 05, 2025	E101659
B2527390	Certificate of Analysis	Mar 05, 2025	E101659
B2527391	Certificate of Analysis	Mar 05, 2025	E101659
B2527392	Certificate of Analysis	Mar 05, 2025	E101659
K2408152	Certificate of Analysis	Oct 21, 2024	E101659
J2415372	Certificate of Analysis	Oct 21, 2024	E101659
J2415371	Certificate of Analysis	Oct 21, 2024	E101659
J2415369	Certificate of Analysis	Oct 21, 2024	E101659
J2415358	Certificate of Analysis	Oct 21, 2024	E101659
A2513598	Certificate of Analysis	Apr 01, 2024	E101659
I2306360	Certificate of Analysis	Sep 19, 2023	E101659
I2306361	Certificate of Analysis	Sep 19, 2023	E101659
I2306430	Certificate of Analysis	Sep 19, 2023	E101659
G2431021	Certificate of Analysis	Sep 19, 2023	E101659
B2314532	Certificate of Analysis	Feb 23, 2023	E101659
B2314356	Certificate of Analysis	Feb 23, 2023	E101659
B2314312	Certificate of Analysis	Feb 23, 2023	E101659

Solubilité	Soluble in water (5 mg/ml) with heat and sonication as needed, yielding a clear, colorless solution, ethanol (~1 mg/ml), methanol (sparingly), DMSO (~10 mg/ml), and DMF (~14 mg/ml).
Sensibilité	Heat sensitive
Rotation spécifique [α]	-177° (C=1,EtOH)
Point de fusion (°C)	255°C(lit.)
Poids moléculaire	442.400 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	442.09 Da
Monoisotopic Mass	442.09 Da
Topological Polar Surface Area	177.000 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	649.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

(-)-Epicatechin gallate - Moligand™, ≥98% , CAS No.1257-08-5

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