Identification

PhytoHub ID
PHUB000944
Name
Farnesyl pyrophosphate
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
382.33
Monoisotopic Mass
382.131027238
Chemical Formula
C15H28O7P2
IUPAC Name
farnesyl diphosphate
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]\C(CC\C(C)=C(/[H])COP(O)(=O)OP(O)(O)=O)=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
113.29000000000002
Refractivity
96.73049999999998
Polarizability
37.86019185244514
Formal Charge
0
Physiological Charge
-3
pKa (strongest basic)
Not Available
pKa (strongest acidic)
1.7672186885241004
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Prenol lipids
Super-class
Lipids and lipid-like molecules
Sub-class
Sesquiterpenoids
Direct Parent Name
Sesquiterpenoids
Alternative Parent Names
["Hydrocarbon derivatives", "Isoprenoid phosphates", "Monoalkyl phosphates", "Organic oxides", "Organic pyrophosphates", "Organooxygen compounds"]
External Descriptor Annotations
["Acyclic farnesane sesquiterpenoids", "Farnesenes", "farnesyl diphosphate"]
Substituent Names
["Aliphatic acyclic compound", "Alkyl phosphate", "Farsesane sesquiterpenoid", "Hydrocarbon derivative", "Isoprenoid phosphate", "Monoalkyl phosphate", "Organic oxide", "Organic oxygen compound", "Organic phosphoric acid derivative", "Organic pyrophosphate", "Organooxygen compound", "Phosphoric acid ester", "Sesquiterpenoid"]

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Farnesol Farnesyl pyrophosphatein vitro (rat)Not AvailableunknownC15H28O7P2382.131027238 Publications
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