CATECHIN

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Synonyms
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key PFTAWBLQPZVEMU-UHFFFAOYSA-N
Smiles OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3
InChI
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O6
Molecular Weight 290.27
AlogP 2.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 110.38
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Nematotoxic activity against freshly hatched Meloidogyne incognita J2 (root-knot nematode) isolated from tomato roots assessed as induction of nematode paralysis measured 24 hr after immersion in compound test solutions Meloidogyne incognita 1000.0 ug.mL-1
Hypoglycemic activity in Rattus norvegicus albino Wistar (rat) streptozotocin-induced diabetic model assessed as reduction of plasma glucose level at 20 mg/kg, po qd for 60 days measured up to 180 min by oral glucose tolerance test Rattus norvegicus None
Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry Saccharomyces cerevisiae 2.11
Antioxidant activity assessed as DPPH scavenging activity after 2 hr by spectrophotometry None 2.12 ug.mL-1
Antioxidant activity in phosphate buffer at pH 6.6 assessed as reducing power measuring conversion of potassium ferricyanide to ferrous form after 10 min by spectrophotometry None 10.0 ug.mL-1
Antifungal activity against Verticillium dahliae assessed as inhibition of mycelial radial growth measured after 350 hr Verticillium dahliae 2100.0 ug.mL-1
Displacement of NLWAAQRYGRELRRMSD-K(FITC)-FVD from Bcl-2 (unknown origin) by fluorescence polarization assay Homo sapiens 100000.0 nM
Antioxidant activity in liposomal model assessed as inhibition of Fe2 ions-induced lipid peroxidation None 1.78
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as reduction in glomerular expansion at 20 mg/kg, po administered via intragastric tube for 45 days using hematoxylin/eosin staining method Rattus norvegicus None
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as reduction in enlargement of glomerulus at 20 mg/kg, po administered via intragastric tube for 45 days using hematoxylin/eosin staining method Rattus norvegicus None
Hepatoprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as re-apperance of hepatic lobules at 20 mg/kg, po administered via intragastric tube for 45 days using hematoxylin/eosin staining method Rattus norvegicus None
Hepatotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in plasma ACP level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 9.97+/-1.1 ug/dl) Rattus norvegicus 9.52 ug/dl
Hepatotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in plasma ALP level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 49.99+/-4.7 ug/dl) Rattus norvegicus 50.87 ug/dl
Hepatotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in plasma ALT level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 56.72 +/-5.2 ug/dl) Rattus norvegicus 55.18 ug/dl
Hepatotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in plasma AST level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 39.6 +/-3.3 ug/dl) Rattus norvegicus 36.12 ug/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as serum LDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 85.37 +/-8.8 mg/dl) Rattus norvegicus 12.78 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as serum VLDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb =11.12 +/-0.3 mg/dl) Rattus norvegicus 89.52 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as serum HDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb =65.21 +/-6.9 mg/dl) Rattus norvegicus 68.65 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as serum triglyceride level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb =17.72 +/-1.3 mg/dl) Rattus norvegicus 18.18 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as serum cholesterol level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 97.72 +/-7.3 mg/dl) Rattus norvegicus 98.34 mg/dl
Hepatoprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as plasma ACP level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 28.7 +/-2.61 ug/dl) Rattus norvegicus 11.98 ug/dl
Hepatoprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as plasma ALP level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 91.1 +/-9.2 ug/dl) Rattus norvegicus 54.29 ug/dl
Hepatoprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as plasma ALT level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 97.11 +/-10.3 ug/dl) Rattus norvegicus 59.71 ug/dl
Hepatoprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as plasma AST level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 85.5 +/-9.21 ug/dl) Rattus norvegicus 41.95 ug/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as serum VLDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 55.2 +/-4.5 mg/dl) Rattus norvegicus 13.21 mg/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as serum LDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 165.7 +/-14.35 mg/dl) Rattus norvegicus 91.28 mg/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as serum HDL level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 25.8 +/-1.6 mg/dl) Rattus norvegicus 60.56 mg/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as serum triglyceride level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 65.5 +/-7.9 mg/dl) Rattus norvegicus 20.81 mg/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as serum cholesterol level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 295.5 +/-17.1 mg/dl) Rattus norvegicus 109.21 mg/dl
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in serum total protein level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 3.7 +/-0.9 g/dl) Rattus norvegicus 6.58 g/dl
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in serum creatinine level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 2.1 +/-0.9 mg/dl) Rattus norvegicus 1.78 mg/dl
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in serum uric acid level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 1.5 +/-0.9 mg/dl) Rattus norvegicus 0.99 mg/dl
Nephroprotective activity in STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in serum urea level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 41.5 +/-4.9 mg/dl) Rattus norvegicus 29.98 mg/dl
Nephrotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in serum total protein level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 8.12 +/- 1.0 g/dl ) Rattus norvegicus 8.98 g/dl
Nephrotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in creatinine level in serum at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 1.62 +/- 0.2 mg/dl ) Rattus norvegicus 1.98 mg/dl
Nephrotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in uric acid level in serum at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 0.96 +/- 0.93 mg/dl ) Rattus norvegicus 0.98 mg/dl
Nephrotoxicity in Rattus norvegicus Wistar albino (rat) assessed as change in urea level in serum at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 24.12 +/- 2.3 mg/dl ) Rattus norvegicus 23.98 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as change in glycosylated hemoglobin of total hemoglobin at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 0.52 +/-0.03 % ) Rattus norvegicus 0.46 %
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in glycosylated hemoglobin of total hemoglobin at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 0.89 +/-0.03 %) Rattus norvegicus 0.57 %
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as change in hemoglobin level at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 15.12 +/-1.3 mg/dl ) Rattus norvegicus 14.98 mg/dl
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in hemoglobin at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 8.5 +/-0.9 mg/dl) Rattus norvegicus 14.98 mg/dl
Toxicity in Rattus norvegicus Wistar albino (rat) assessed as change in body weight at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 238.2 +/-7.3 g) Rattus norvegicus 239.67 g
Antidiabetic activity against STZ-induced diabetic Rattus norvegicus Wistar albino (rat) assessed as change in body weight at 20 mg/kg, po administered via intragastric tube for 45 days (Rvb = 243.67 +/-8.9 g) Rattus norvegicus 209.12 g
Inhibition of Helicobacter pylori urease Helicobacter pylori 13.0 ug.mL-1
Antifungal activity against Penicillium sp. at 12.5 to 25 ug/ml after 96 hr by spectrophotometry Penicillium sp. None
Antifungal activity against Aspergillus niger at 12.5 to 25 ug/ml after 96 hr by spectrophotometry Aspergillus niger None
Antifungal activity against Fusarium oxysporum at 12.5 to 25 ug/ml after 96 hr by spectrophotometry Fusarium oxysporum None
Antifungal activity against Hypocrea rufa at 12.5 to 25 ug/ml after 96 hr by spectrophotometry Hypocrea rufa None
Antifungal activity against Trichoderma reesei at 12.5 to 25 ug/ml after 96 hr by spectrophotometry Trichoderma reesei None
Bactericidal activity against Pseudomonas fluorescens at 3.1 ug/ml after 24 hr by BacLight bacterial viability fluorescence assay Pseudomonas fluorescens None
Bactericidal activity against Erwinia amylovora at 1.6 ug/ml after 24 hr by BacLight bacterial viability fluorescence assay Erwinia amylovora None
Bactericidal activity against Pectobacterium carotovorum at 3.1 ug/ml after 24 hr by BacLight bacterial viability fluorescence assay Pectobacterium carotovorum None
Bactericidal activity against Xanthomonas euvesicatoria at 6.3 ug/ml after 24 hr by BacLight bacterial viability fluorescence assay Xanthomonas euvesicatoria None
Antifeedant activity against third-instar Xanthogaleruca luteola assessed per cm2 leaf disk after 24 hr by leaf-disk choice test Xanthogaleruca luteola 50.22 ug
Antifeedant activity against third-instar Epilachna paenulata measured assessed per cm2 leaf disk after 24 hr by leaf disk choice test Epilachna 47.6 ug

Cross References

Resources Reference
ChEMBL CHEMBL206452
PubChem 1203
SureChEMBL SCHEMBL19411
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