waixenicin A

Ligand id: 6359

Name: waixenicin A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 88.13
Molecular weight 460.25
XLogP 4.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Natural product or derivative
(2E,5S)-5-[(1R,4aS,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-2-pentene-1,5-diyl diacetate
Database Links
CAS Registry No. 95230-65-2
PubChem CID 73755210
Search Google for chemical match using the InChIKey DCZJIZRGTZFSQY-JQIWXNGPSA-N
Search Google for chemicals with the same backbone DCZJIZRGTZFSQY
From the soft coral Sarcothelia edmondsoni. Note that CAS registry number 95230-65-2 relates to the 'flat' molecule with no stereochemistry indicated.