rottlerin

Ligand id: 2611

Name: rottlerin

Structure and Physico-chemical Properties

2D Structure
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 5.12
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
Database Links
BindingDB Ligand 50126829
CAS Registry No. 82-08-6 (source: Scifinder)
ChEBI CHEBI:8899
ChEMBL Ligand CHEMBL34241
PubChem CID 5281847
Search Google for chemical match using the InChIKey DEZFNHCVIZBHBI-ZHACJKMWSA-N
Search Google for chemicals with the same backbone DEZFNHCVIZBHBI
Wikipedia Rottlerin