phalloidin

Ligand id: 4736

Name: phalloidin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 11
Rotatable bonds 4
Topological polar surface area 316.92
Molecular weight 788.32
XLogP 1.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octaazapentacyclo[12.11.11.0^{3,11}.0^{4,9}.0^{16,20}]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Database Links
CAS Registry No. 17466-45-4 (source: Scifinder)
PubChem CID 4752
Search Google for chemical match using the InChIKey KPKZJLCSROULON-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KPKZJLCSROULON
Wikipedia Phalloidin
Comments
A toxin from the death cap (Amanita phalloides). There is some ambiguity in the literature and online as to the exact stereochemistry of phalloidin, therefore we have chosen not to specify stereochemistry in our structure. For a representation of the structure of phalloidin showing stereochemistry please see the entry on ChEBI.