Identification

PhytoHub ID
PHUB000943
Name
Farnesyl monophosphate
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
302.351
Monoisotopic Mass
302.164696347
Chemical Formula
C15H27O4P
IUPAC Name
{[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}phosphonic acid
InChI Key
ALEWCKXBHSDCCT-FBXUGWQNSA-N
InChI Identifier
InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-
SMILES
CC(C)=CCC\C(C)=C/CC\C(C)=C/COP(O)(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.65e-02 g/l
LogS (ALOGPS)
-4.06
LogP (ALOGPS)
3.40
Hydrogen Acceptors
3
Hydrogen Donors
2
Rotatable Bond Count
9
Polar Surface Area
66.75999999999999
Refractivity
85.85759999999999
Polarizability
32.624475044898034
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
Not Available
pKa (strongest acidic)
1.785397553289238
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Taxonomy of its Precursor(s)

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", "Organooxygen compounds"]
External Descriptor Annotations
Not Available
Substituent Names
["Aliphatic acyclic compound", "Alkyl phosphate", "Farsesane sesquiterpenoid", "Hydrocarbon derivative", "Isoprenoid phosphate", "Monoalkyl phosphate", "Organic oxide", "Organic oxygen compound", "Organic phosphoric acid derivative", "Organooxygen compound", "Phosphoric acid ester", "Sesquiterpenoid"]

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Precursor(s)

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Farnesol Farnesyl monophosphatein vitro (rat)Not AvailableunknownNot AvailableNot AvailableNot AvailableC15H27O4P302.164696347 Publications

Inter-Individual Variations Metabolism

No data on inter-individual variations available

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