rottlerin

Ligand id: 2611

Name: rottlerin

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 5
Rotatable bonds 6
Topological polar surface area 144.52
Molecular weight 516.18
XLogP 5.8
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one
Synonyms
mallotoxin
Comments
Rottlerin is a naturally occurring compound that was isolated from Mallotus philippinensis. Rottlerin has been reported as an ATP-competitive inhibitor of protein kinases with some selectivity for the protein kinase C family isoenzymes [1]. It can be used to differentiate between PKC isoenzymes, having around 10-fold selectivity for PKCδ over PKC α/β/γ and ~30-fold compared to PKC ε/η/ζ
Database Links
BindingDB Ligand 50126829
CAS Registry No. 82-08-6 (source: Scifinder)
ChEBI CHEBI:8899
ChEMBL Ligand CHEMBL34241
GtoPdb PubChem SID 135652702
PubChem CID 5281847
Search Google for chemical match using the InChIKey DEZFNHCVIZBHBI-ZHACJKMWSA-N
Search Google for chemicals with the same backbone DEZFNHCVIZBHBI
Search UniChem for chemical match using the InChIKey DEZFNHCVIZBHBI-ZHACJKMWSA-N
Search UniChem for chemicals with the same backbone DEZFNHCVIZBHBI
Wikipedia Rottlerin

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Tocris
Rottlerin
Cat. No. 1610