ryanodine

Ligand id: 4303

Name: ryanodine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 4
Topological polar surface area 172.7
Molecular weight 493.23
XLogP 0.16
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1R,2R,3S,6S,7S,9S,10R,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.0^{1,6}.0^{7,13}.0^{10,14}]pentadecan-12-yl 1H-pyrrole-2-carboxylate
Database Links
CAS Registry No. 15662-33-6 (source: Scifinder)
ChEBI CHEBI:8925
PubChem CID 11317883
Search Google for chemical match using the InChIKey JJSYXNQGLHBRRK-SFEDZAPPSA-N
Search Google for chemicals with the same backbone JJSYXNQGLHBRRK
Wikipedia Ryanodine