splitomicin   Click here for help

GtoPdb Ligand ID: 8101

Compound class: Synthetic organic
Comment: Splitomicin is a selective inhibitor of the yeast NAD+-dependent histone deacetylase Sir2 protein [1]. Splitomicin has been used as a tool to elucidate the role of Sir2 in vivo [1]. The human homologue of Sir2 is SIRT1.
The SIRT histone deacetylases have been implicated in a wide range of cellular processes including stress resistance, metabolism, differentiation, and aging [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 26.3
Molecular weight 198.07
XLogP 2.75
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCc2c(O1)ccc1c2cccc1
Isomeric SMILES O=C1CCc2c(O1)ccc1c2cccc1
InChI InChI=1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
Classification Click here for help
Compound class Synthetic organic
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Database Links Click here for help
CAS Registry No. 5690-03-9
ChEMBL Ligand CHEMBL86537
GtoPdb PubChem SID 249565781
PubChem CID 5269
Search Google for chemical match using the InChIKey ISFPDBUKMJDAJH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ISFPDBUKMJDAJH
UniChem Compound Search for chemical match using the InChIKey ISFPDBUKMJDAJH-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ISFPDBUKMJDAJH-UHFFFAOYSA-N

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Splitomicin (links to external site)
Cat. No. 1542