splitomicin

Ligand id: 8101

Name: splitomicin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 26.3
Molecular weight 198.07
XLogP 4.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,2-dihydrobenzo[f]chromen-3-one
Database Links
CAS Registry No. 5690-03-9
ChEBI CHEBI:75272
ChEMBL Ligand CHEMBL86537
PubChem CID 5269
Search Google for chemical match using the InChIKey ISFPDBUKMJDAJH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ISFPDBUKMJDAJH
Search UniChem for chemical match using the InChIKey ISFPDBUKMJDAJH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ISFPDBUKMJDAJH
Comments
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].