ginkgolide J

Ligand id: 1864

Name: ginkgolide J

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 148.82
Molecular weight 424.14
XLogP -0.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1R,3R,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione
Database Links
CAS Registry No. 107438-79-9 (source: Scifinder)
PubChem CID 441296
Search Google for chemical match using the InChIKey LMEHVEUFNRJAAV-MHIVRBJNSA-N
Search Google for chemicals with the same backbone LMEHVEUFNRJAAV
Comments
There is some ambiguity online as to the exact structure and stereochemistry of ginkgolide J. Our structure matches that represented in the PubChem entry linked to above, but PubChem also lists activity data for several other entries. ChEMBL represents the compound with the entry CHEMBL374004.