himbacine

Ligand id: 324

Name: himbacine

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 29.54
Molecular weight 345.27
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,3aS,4aR,8aS,9R,9aR)-9-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-naphtho[3,2-c]furan-3-one
Database Links
CAS Registry No. 6879-74-9 (source: NCI)
ChEBI CHEBI:5720
ChEMBL Ligand CHEMBL277642
PubChem CID 6436265
Search Google for chemical match using the InChIKey FMPNFDSPHNUFOS-LPJDIUFZSA-N
Search Google for chemicals with the same backbone FMPNFDSPHNUFOS
Wikipedia Himbacine
Comments
Isolated from the bark of Australian magnolias