Farnesyl monophosphate
Showing entry for Farnesyl monophosphate
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
Structure for Farnesyl monophosphate
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
- Terpenoid metabolites
- Class
- Sesquiterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Farnesol | Terpenoids | Sesquiterpenoids | Not Available | Show Food Phytochemical |
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 Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Farnesol | Apple | Fruit, Pomes | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Farnesol | Farnesyl monophosphate | in vitro (rat) | Not Available | unknown | Not Available | Not Available | Not Available | C15H27O4P | 302.164696347 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|