Cas no 17365-11-6 (Theogallin)
Theogallin is a naturally occurring polyphenolic compound, classified as a hydrolysable tannin, found primarily in tea leaves (Camellia sinensis) and some fruits. Chemically, it is a gallic acid ester of quinic acid, contributing to its antioxidant and bioactive properties. Theogallin exhibits notable free radical scavenging capabilities, making it relevant in oxidative stress research. Its structure allows for potential metal chelation, which may influence bioavailability and stability in formulations. Studies suggest it modulates cellular signaling pathways, though further research is required to elucidate its mechanisms. Theogallin is of interest in nutraceutical and pharmacological applications due to its solubility in aqueous systems and compatibility with biological matrices.
Theogallin structure
Product Name:Theogallin
CAS No:17365-11-6
MF:C14H16O10
MW:344.270845413208
CID:1358674
PubChem ID:442988
Update Time:2025-06-07
Theogallin Chemical and Physical Properties
Names and Identifiers
-
- 3-Galloylquinic acid
- (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
- THEOGALLIN
- 5-Galloylquinic acid
- 3,4,5-Trihydroxybenzoic acid (1R)-5β-carboxy-2α,3α,5α-trihydroxycyclohexyl ester
- (3R,5R)-1α,4α,5α-Trihydroxy-3β-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]cyclohexanecarboxylic acid
- UNII-N8GTS57R32
- Gallotannin 20
- 17365-11-6
- CHEMBL3233512
- BENZOIC ACID, 3,4,5-TRIHYDROXY-, 5-CARBOXY-2,3,5-TRIHYDROXYCYCLOHEXYL ESTER, (1R-(1.ALPHA.,2.BETA.,3.BETA.,5.BETA.))-
- (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexanecarboxylic acid
- Quinic acid, 3-gallate
- 3-Galloyl quinate
- N8GTS57R32
- AKOS040740246
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid
- Benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1R-(1alpha,2beta,3beta,5beta))-
- (1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid
- Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester
- (1S,3R,4R,5R)-1,3,4-Trihydroxy-5-(3,4,5-trihydroxyphenylcarbonyloxy)cyclohexanecarboxylic acid
- HY-122924
- Q5931666
- CS-0090456
- CHEBI:9522
- 3-O-Galloylquinic acid
- DTXSID60332031
- SCHEMBL21176646
- MS-25271
- Quinic acid 3-gallate
- DA-49597
- G16405
- Theogallin
-
- Inchi： 1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1
- InChI Key： LDPLFHGGZNSKDS-FTBFGRRBSA-N
- SMILES： O(C(C1C=C(C(=C(C=1)O)O)O)=O)[C@H]1[C@@H]([C@@H](C[C@@](C(=O)O)(C1)O)O)O
Computed Properties
- Exact Mass: 344.07434670g/mol
- Monoisotopic Mass: 344.07434670g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 484
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 185?2
Experimental Properties
- Color/Form: Powder
Theogallin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHL83569-10MG |
Theogallin |
17365-11-6 | 10mg |
￥6657.08 | 2023-10-14 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | G40280-5mg |
Theogallin |
17365-11-6 | ,HPLC≥95% | 5mg |
￥4708.0 | 2023-09-07 | |
| MedChemExpress | HY-122924-1mg |
Theogallin |
17365-11-6 | ≥98.0% | 1mg |
￥4000 | 2024-07-19 | |
| eNovation Chemicals LLC | Y1237898-1mg |
Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester |
17365-11-6 | 98% | 1mg |
$730 | 2024-06-07 | |
| ChemFaces | CFN92829-5mg |
3-Galloylquinic acid |
17365-11-6 | >=98% | 5mg |
$318 | 2023-09-19 | |
| 1PlusChem | 1P001ZKF-1mg |
Benzoic acid, 3,4,5-trihydroxy-, (1R,2R,3R,5S)-5-carboxy-2,3,5-trihydroxycyclohexyl ester |
17365-11-6 | 98% | 1mg |
$494.00 | 2024-06-19 | |
| PhytoLab | 83569-50mg |
Theogallin |
17365-11-6 | ≥ 90.0 % | 50mg |
€1066.5 | 2023-10-25 | |
| PhytoLab | 83569-250mg |
Theogallin |
17365-11-6 | ≥ 90.0 % | 250mg |
€5036.25 | 2023-10-25 | |
| PhytoLab | 83569-500mg |
Theogallin |
17365-11-6 | ≥ 90.0 % | 500mg |
€9480 | 2023-10-25 | |
| PhytoLab | 83569-1000mg |
Theogallin |
17365-11-6 | ≥ 90.0 % | 1000mg |
€17775 | 2023-10-25 |
Theogallin Suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier
(CAS:17365-11-6)3-Galloylquinic acid
Order Number:NC24750
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:11
Price ($):Price inquiry
Email:[email protected]
Theogallin Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Recommended suppliers
NewCan Biotech Limited
(CAS:17365-11-6)3-Galloylquinic acid
Purity:97%
Quantity:10g
Price ($):Inquiry