15-deoxy-TIC

Ligand id: 5865

Name: 15-deoxy-TIC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 57.53
Molecular weight 368.24
XLogP 7.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E)-4-(3-methylphenyl)but-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid
Database Links
CAS Registry No. 220119-27-7 (source: SciFinder)
PubChem CID 9842229
Search Google for chemical match using the InChIKey UZEWMXSWYKBMJG-ROHPBGETSA-N
Search Google for chemicals with the same backbone UZEWMXSWYKBMJG
Search UniChem for chemical match using the InChIKey UZEWMXSWYKBMJG-ROHPBGETSA-N
Search UniChem for chemicals with the same backbone UZEWMXSWYKBMJG