brucine N-oxide

Ligand id: 343

Name: brucine N-oxide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 71.06
Molecular weight 410.18
XLogP -0.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,11S,17R,18S,20R,21R,22S)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium-17-olate
Database Links
GtoPdb PubChem SID 135650027
PubChem CID 21123938
Search Google for chemical match using the InChIKey HHHQMKWPZAYIAE-WAIXHZNCSA-N
Search Google for chemicals with the same backbone HHHQMKWPZAYIAE
Search UniChem for chemical match using the InChIKey HHHQMKWPZAYIAE-WAIXHZNCSA-N
Search UniChem for chemicals with the same backbone HHHQMKWPZAYIAE