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Home Other Building Blocks (-)-Catechin gallate

(-)-Catechin gallate

CAS No.:
130405-40-2
Catalog Number:
AG000UDI
Molecular Formula:
C22H18O10
Molecular Weight:
442.3723
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$125
- +
5mg
≥98%
1 week
United States
$364
- +
10mg
≥98%
1 week
United States
$533
- +
25mg
≥98%
1 week
United States
$1078
- +
Product Description
Catalog Number:
AG000UDI
Chemical Name:
(-)-Catechin gallate
CAS Number:
130405-40-2
Molecular Formula:
C22H18O10
Molecular Weight:
442.3723
MDL Number:
MFCD00214258
IUPAC Name:
[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
InChI:
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
InChI Key:
LSHVYAFMTMFKBA-CTNGQTDRSA-N
SMILES:
Oc1cc(O)c2c(c1)O[C@H]([C@@H](C2)OC(=O)c1cc(O)c(c(c1)O)O)c1ccc(c(c1)O)O
UNII:
0KT1FO6VO6
Properties
Complexity:
649  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
442.09g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
442.376g/mol
Monoisotopic Mass:
442.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Novel type II fatty acid biosynthesis (FAS II) inhibitors as multistage antimalarial agents. ChemMedChem 20130301
The lipogenesis pathway as a cancer target. Journal of medicinal chemistry 20110825
Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum. Bioorganic & medicinal chemistry letters 20100815
Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme. Bioorganic & medicinal chemistry 20080401
Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids. Journal of medicinal chemistry 20060601
Green tea catechins as a BACE1 (beta-secretase) inhibitor. Bioorganic & medicinal chemistry letters 20031117
Properties