Chebulagic acid
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Chebulagic acid
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CAS No:
23094-71-5
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Formula:
C41H30O27
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Chemical Name:
Chebulagic acid
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Synonyms:
β-D-Glucopyranose,cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate),cyclic 2→2:4→1-ester with (2S)-2-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;β-D-Glucopyranose,cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate),cyclic 2→5:4→1-ester with (2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;Chebulagic acid;β-D-Glucopyranose,cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1-(3,4,5-trihydroxybenzoate),cyclic 2→2:4→1-ester with (2S)-[(3S,4S)-5-carboxy-3,4-dihydro-3,7,8-trihydroxy-2-oxo-2H-1-benzopyran-4-yl]butanedioic acid;10,24-(Epoxymethano)-11H-dibenzo[8,9:10,11][1,6]dioxacyclododecino[2,3-d]pyrano[4,3,2-ij][2,6]benzodioxacycloundecin,β-D-glucopyranose deriv.;19293-38-0
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CAS No:
Description
Chebulagic acid is a COX-LOX dual inhibitor isolated from the fruits of Terminalia chebula Retz, on angiogenesis.target: COX-LOX [1]In vitro: Chebulagic acid can enhance the autophagy. Chebulagic acid exert anti-inflammatory and anti-infective effects. [1] [2] Chebulagic acid also show a protective effect against 1-methyl-4-phenylpyridinium (MPP+) - induce cytotoxicity which mimics the pathological symptom of Parkinson's disease. Chebulagic acid inhibit the LPS-induced upregulation of TN
Characteristics
447.09000
2.25
2.1±0.1 g/cm3
>300 °C @ Solvent: Water
1610.6±65.0 °C at 760 mmHg
480.0±27.8 °C
1.876
0mmHg at 25°C
Drug Information
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES. (See all compounds classified as Lipoxygenase Inhibitors.)|Compounds that inhibit the activity of DNA TOPOISOMERASE I. (See all compounds classified as Topoisomerase I Inhibitors.)
chebulagic acid
Computed Properties
Molecular Weight:954.7
XLogP3:0.4
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:27
Rotatable Bond Count:5
Exact Mass:954.09744568
Monoisotopic Mass:954.09744568
Topological Polar Surface Area:447
Heavy Atom Count:68
Complexity:1970
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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