Ligand Id: 324
Ligand name himbacine

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

Summary Biological activity References Structure Similar ligands
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)
ChEMBL Ligand 259340, 406453, 126635, 127937, 187386, 187452, 187453, 187454, 187535, 194415, 259165, 259339
PubChem CID 5351501
Search on ChemSpider FMPNFDSPHNUFOS-LPJDIUFZSA-N
Wikipedia Himbacine
ZINC ZINC04216478, ZINC04262471, ZINC04430038, ZINC04430039, ZINC04430040
iPHACE E23K3Q88

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

Comments
Isolated from the bark of Australian magnolias

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