Drug Information

Drug General Information
Drug ID
D03SPJ
Former ID
DNC012234
Drug Name
CORILAGIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526128]
Structure
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2D MOL

3D MOL
Formula
C27H22O18
Canonical SMILES
C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC<br />(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
InChI
1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2
InChIKey
TUSDEZXZIZRFGC-UHFFFAOYSA-N
PubChem Compound ID
73568
Target and Pathway
Target(s) HIV-1 reverse transcriptase Target Info Inhibitor [551230]
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.
Ref 551230HIV and reverse transcriptase inhibition by tanninsOriginal Research. Bioorg. Med. Chem. Lett. 2(12):1529-1534 (1992).

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