methyllycaconitine

Ligand id: 4005

Name: methyllycaconitine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 144.3
Molecular weight 682.35
XLogP 1.85
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Database Links
CAS Registry No. 21019-30-7 (source: Scifinder)
PubChem CID 5288811
RCSB PDB Ligand MLK
Search Google for chemical match using the InChIKey XLTANAWLDBYGFU-VTLKBQQISA-N
Search Google for chemicals with the same backbone XLTANAWLDBYGFU
Wikipedia Methyllycaconitine