16,16-dimethyl-PGE2

Ligand id: 1926

Name: 16,16-dimethyl-PGE2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 94.83
Molecular weight 380.26
XLogP 3.48
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Synonyms
16,16-dimethylprostaglandin E2
Database Links
CAS Registry No. 39746-25-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1221529
Lipid Maps LMFA03010065
PubChem CID 5283066
Search Google for chemical match using the InChIKey QAOBBBBDJSWHMU-WMBBNPMCSA-N
Search Google for chemicals with the same backbone QAOBBBBDJSWHMU