farnesol   Click here for help

GtoPdb Ligand ID: 3215

Synonyms: FCI 119a
Comment: 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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES OCC=C(CCC=C(CCC=C(C)C)C)C
Isomeric SMILES OCC=C(CCC=C(CCC=C(C)C)C)C
InChI InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
InChI Key CRDAMVZIKSXKFV-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Synonyms Click here for help
FCI 119a
Database Links Click here for help
CAS Registry No. 4602-84-0 (source: Scifinder)
ChEBI CHEBI:28600
DrugBank Ligand DB02509
GtoPdb PubChem SID 135651486
PubChem CID 3327
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Wikipedia Farnesol