Drug Information

Drug General Information
Drug ID
D0F6AI
Former ID
DNC013881
Drug Name
TINGENONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526834]
Structure
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2D MOL

3D MOL
Formula
C28H36O3
Canonical SMILES
CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C<br />C1=O)C
InChI
1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
InChIKey
WSTYNZDAOAEEKG-GWJSGULQSA-N
PubChem Compound ID
101520
Target and Pathway
Target(s) Aldose reductase Target Info Inhibitor [526834]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)
KEGG Pathway Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathways
NetPath Pathway IL1 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose Metabolism
WikiPathways Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin D
References
Ref 526834J Nat Prod. 2003 Sep;66(9):1191-6.Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis.
Ref 526834J Nat Prod. 2003 Sep;66(9):1191-6.Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis.

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