Drug Information

Drug General Information
Drug ID
D07WLU
Former ID
DNC013635
Drug Name
1,2,6-tri-O-galloyl-beta-D-glucose
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526128]
Formula
C27H24O18
Canonical SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(O2)O)(COC(=O)C3=CC(=<br />C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI
1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2/t18?,22?,26-,27?/m1/s1
InChIKey
KCQFLGUEZXYOER-IPKUFKRGSA-N
PubChem Compound ID
124024
Target and Pathway
Target(s) Squalene monooxygenase Target Info Inhibitor [526128]
KEGG Pathway Steroid biosynthesis
Sesquiterpenoid and triterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibiotics
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)
References
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.
Ref 526128J Nat Prod. 2001 Aug;64(8):1010-4.Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase.

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