Ligand id: 4100

Name: 1,9-dideoxyforskolin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 72.83
Molecular weight 378.24
XLogP 3.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Natural product or derivative
(3R,4aS,5S,6S,6aS,10aS,10bR)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-5-yl acetate
Database Links
CAS Registry No. 64657-18-7 (source: Scifinder)
ChEMBL Ligand CHEMBL519570
PubChem CID 107948
Search Google for chemical match using the InChIKey ZKZMDXUDDJYAIB-SUCLLAFCSA-N
Search Google for chemicals with the same backbone ZKZMDXUDDJYAIB