farnesol

Ligand id: 3215

Name: farnesol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 20.23
Molecular weight 222.2
XLogP 4.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Synonyms
FCI 119a
Database Links
CAS Registry No. 4602-84-0 (source: Scifinder)
ChEBI CHEBI:28600
DrugBank Ligand DB02509
Human Metabolome Database HMDB04305
PubChem CID 3327
Search Google for chemical match using the InChIKey CRDAMVZIKSXKFV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CRDAMVZIKSXKFV
Wikipedia Farnesol
Comments
The structure of farnesol shown here does not specify cis/trans isomerism of the two double bonds. Farnesol is available for purchase in cis,cis-, trans,trans-, cis,trans- and trans,cis- forms, and these variations are shown on other databases. Hinson et al. (1997) does not specify which form of the compound was used.