hyperforin

Ligand Id: 2764
Ligand name hyperforin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 71.44
Molecular weight 536.39
XLogP 9.45
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Natural product or derivative
IUPAC Name
(1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Database Links
CAS Registry No. 11079-53-1
ChEBI CHEBI:5834
NURSA Ligand li4
PubChem CID 441298
RCSB PDB Ligand HYF
Search Google for chemical match using the InChIKey IWBJJCOKGLUQIZ-HQKKAZOISA-N
Search Google for chemicals with the same backbone IWBJJCOKGLUQIZ
Wikipedia Hyperforin
Comments
There is some ambiguity in the literature and online as to the exact structure of hyperforin. The structure shown here matches that on ChEBI as linked to above. The PubChem entry linked to above represents a different tautomer.