chaetocin

Ligand id: 8388

Name: chaetocin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 246.96
Molecular weight 696.1
XLogP 0.57
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Database Links
CAS Registry No. 28097-03-2
PubChem CID 161591
Search Google for chemical match using the InChIKey PZPPOCZWRGNKIR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PZPPOCZWRGNKIR
Comments
Chaetocin is a fungal mycotoxin specifically inhibiting the histone methyltransferase (HMT), suppressor of variegation 3-9 homolog 1 (SUV39H1) [2-3]. SUV39H1 is the main enzyme responsible for the trimethylation of lysine 9 in histone H3.
We show the chemical structure here without any stereochemical specification. PubChem records various stereoisomers of this naturally ocurring metabolite.