Identification

PhytoHub ID
PHUB000944
Name
Farnesyl pyrophosphate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
382.33
Monoisotopic Mass
382.131027238
Chemical Formula
C15H28O7P2
IUPAC Name
[hydroxy([(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy)phosphoryl]oxyphosphonic acid
InChI Key
VWFJDQUYCIWHTN-YFVJMOTDSA-N
InChI Identifier
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
SMILES
[H]OP(=O)(O[H])OP(=O)(O[H])OC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
8.07e-02 g/l
LogS (ALOGPS)
-3.68
LogP (ALOGPS)
2.40
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
11
Polar Surface Area
113.28999999999999
Refractivity
96.73049999999999
Polarizability
37.94192720134606
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
Not Available
pKa (strongest acidic)
1.7672186885241006
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Precursor Taxonomy

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Farnesol Farnesyl pyrophosphatein vitro (rat)Not AvailableC15H28O7P2382.131027238 Publications
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