Page last updated: 2024-12-08

theogallin

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

theogallin: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

theogallin : A gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID442988
CHEMBL ID3233512
CHEBI ID9522
SCHEMBL ID21176646
MeSH IDM0514562

Synonyms (26)

Synonym
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexanecarboxylic acid
CHEBI:9522 ,
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxy-cyclohexanecarboxylic acid
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxyphenylcarbonyloxy)cyclohexanecarboxylic acid
3-o-galloylquinic acid
theogallin
17365-11-6
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyl)oxycyclohexane-1-carboxylic acid
CHEMBL3233512
3-galloylquinic acid
DTXSID60332031
Q5931666
SCHEMBL21176646
MS-25271
HY-122924
CS-0090456
(1s,3r,4r,5r)-1,3,4-trihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)cyclohexane-1-carboxylic acid
benzoic acid, 3,4,5-trihydroxy-, (1r,2r,3r,5s)-5-carboxy-2,3,5-trihydroxycyclohexyl ester
n8gts57r32 ,
unii-n8gts57r32
quinic acid, 3-gallate
benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1r-(1alpha,2beta,3beta,5beta))-
3-galloyl quinate
gallotannin 20
benzoic acid, 3,4,5-trihydroxy-, 5-carboxy-2,3,5-trihydroxycyclohexyl ester, (1r-(1.alpha.,2.beta.,3.beta.,5.beta.))-
AKOS040740246
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (3)

ClassDescription
gallate esterA benzoate ester that is any ester resulting from the formal condensation of the carboxy group of gallic acid (3,4,5-trihydroxybenzoic acid) with an alcoholic or phenolic hydroxy group.
monocarboxylic acidAn oxoacid containing a single carboxy group.
tertiary alcoholA tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Bioassays (4)

Assay IDTitleYearJournalArticle
AID1129836Inhibition of His-6-tagged Coxsackievirus B3 3C protease expressed in Escherichia coli BL21(DE3) using Asp-Glu-EDANS-(5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid)-MSAIFQGPISK-DABCYL (4-((4-(dimethylamino)phenyl)azo)benzoic acid) as peptide substrat2014Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7
Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.
AID1129833Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate at 100 uM after 30 mins2014Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7
Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.
AID1129835Inhibition of His-6-tagged Coxsackievirus B3 3C protease expressed in Escherichia coli BL21(DE3) using Asp-Glu-EDANS-(5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid)-MSAIFQGPISK-DABCYL (4-((4-(dimethylamino)phenyl)azo)benzoic acid) as peptide substrat2014Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7
Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.
AID1129834Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins2014Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7
Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (40.00)29.6817
2010's3 (60.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 27.15

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index27.15 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.42 (4.65)
Search Engine Demand Index29.35 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (27.15)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]