11-dehydro-thromboxane B2

Ligand id: 4484

Name: 11-dehydro-thromboxane B2

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 104.06
Molecular weight 368.22
XLogP 3.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid
Synonyms
11-dehydro-TXB2
Database Links
CAS Registry No. 67910-12-7 (source: Scifinder)
ChEBI CHEBI:28667
ChEMBL Ligand CHEMBL1405272
PubChem CID 5280891
Search Google for chemical match using the InChIKey KJYIVXDPWBUJBQ-UHHGALCXSA-N
Search Google for chemicals with the same backbone KJYIVXDPWBUJBQ
Search UniChem for chemical match using the InChIKey KJYIVXDPWBUJBQ-UHHGALCXSA-N
Search UniChem for chemicals with the same backbone KJYIVXDPWBUJBQ
Wikipedia 11-Dehydrothromboxane B2