EGCG Octaacetate - Moligand™,≥98% , CAS No.148707-39-5

CAS: 148707-39-5 Cat. No.: E276041 Molecular Weight: 794.67

GRADE & PURITY Moligand™, ≥98%

Synonyms

Epigallocatechin gallate octaacetate | 5-(((2R,3R)-5,7-Diacetoxy-2-(3,4,5-triacetoxyphenyl)chroman-3-yloxy)carbonyl)benzene-1,2,3-triyltriacetate

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms

Epigallocatechin gallate octaacetate | 5-(((2R, 3R)-5, 7-Diacetoxy-2-(3, 4, 5-triacetoxyphenyl)chroman-3-yloxy)carbonyl)benzene-1, 2, 3-triyltriacetate

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Anticancer activity at 50 μM. Downregulates telomerase activity thereby increasing cellular apoptosis and inhibiting cellular proliferation. Antiangiogenic. Active in vivo and in vitro. Enhanced bioavailability over non-prodrug form.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766728
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766728
• Canonical Smiles: CC(=O)OC1=CC2=C(CC(C(O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
• IUPAC Name: [(2R,3R)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-triacetyloxybenzoate
• InChIKey: SVHJCTSSYQPWEV-VSJLXWSYSA-N
• INCHI: 1S/C38H34O19/c1-16(39)48-26-13-28(49-17(2)40)27-15-34(57-38(47)25-11-32(52-20(5)43)37(55-23(8)46)33(12-25)53-21(6)44)35(56-29(27)14-26)24-9-30(50-18(3)41)36(54-22(7)45)31(10-24)51-19(4)42/h9-14,34-35H,15H2,1-8H3/t34-,35-/m1/s1
• Isomeric SMILES: CC(=O)OC1=CC2=C(C[C@H]([C@H](O2)C3=CC(=C(C(=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C(=C4)OC(=O)C)OC(=O)C)OC(=O)C)C(=C1)OC(=O)C
• Molecular Weight: 794.67
• Reaxy-Rn: 383369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383369&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: Flavan-3-ols - Catechins
• Direct Parent: Catechin gallates
• Alternative Parents: Hydrolyzable tannins Epigallocatechins Gallic acid and derivatives Phenol esters Benzoic acid esters 1-benzopyrans Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Catechin gallate - Hydrolyzable tannin - Epigallocatechin - Tannin - Gallic acid or derivatives - Benzoate ester - Chromane - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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: Not available

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

Associated Targets(Human)

ABCB1 Tchem Multidrug resistance protein 1 (1 Activities)

Discover Target: ABCB1

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

Associated Targets(non-human)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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

Influenza A virus (11224 Activities)

Explore this target

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

MDCK (10148 Activities)

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

L929 (3802 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Sensitivity: Sensitive to light
• Molecular Weight: 794.700 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 20
• Exact Mass: 794.169 Da
• Monoisotopic Mass: 794.169 Da
• Topological Polar Surface Area: 246.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1510.000
• 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

References

1. Lidong Pang, Chen Chen, Shihang Li, Jia Shi, Yue Su, Xinyan Yang, Yujun Jiang.  (2025)  Assessment of the effect of metal-phenolic networks on the IgE/IgG binding capacity and functional properties of whey protein isolates.  FOOD RESEARCH INTERNATIONAL,      [PMID:40922165] [10.1016/j.foodres.2025.117023]

2. Chengjunyu Zhang, Sen Liu, Jianhui Zhang, Junlin Lu, Zehua Chen, Bolin Pan, Chu Liu, Ming Huang, Hengji Zhan, Hongjin Wang, Siting Chen, Kaiwen Jie, Baoqing He, Jingdie Wu, Ye Li, Haifeng Wang, Jing Zhao, Qiang Zhang, Xu Chen.  (2025)  A Multifunctional Fe-EGCG@RSL3 Nanomedicine Synergizes Ferroptosis Induction and Tumor Microenvironment Remodeling for Enhanced Bladder Cancer Immunotherapy.  Research,      [PMID:40530387] [10.34133/research.0735]