13,14-dihydro-PGE1

Ligand id: 1946

Name: 13,14-dihydro-PGE1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 94.83
Molecular weight 356.26
XLogP 3.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid
Synonyms
13,14-dihydro-prostaglandin E1
Database Links
BindingDB Ligand 82091
CAS Registry No. 19313-28-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1476810
Human Metabolome Database HMDB02689
PubChem CID 161273
Search Google for chemical match using the InChIKey DPOINJQWXDTOSF-DODZYUBVSA-N
Search Google for chemicals with the same backbone DPOINJQWXDTOSF