Identification

PhytoHub ID
PHUB000942
Name
Farnesoic acid
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
236.355
Monoisotopic Mass
236.177630013
Chemical Formula
C15H24O2
IUPAC Name
farnesoic acid
InChI Key
WJHFZYAELPOJIV-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)
SMILES
CC(C)=CCCC(C)=CCCC(C)=CC(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
4.12e-02 g/l
LogS (ALOGPS)
-3.76
LogP (ALOGPS)
4.68
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
7
Polar Surface Area
37.3
Refractivity
74.8521
Polarizability
28.885238607528283
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.921709973191047
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
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

Spectra

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 Farnesoic acidin vitro (rat)Not AvailableunknownNot AvailableNot AvailableNot AvailableC15H24O2236.177630013 Publications

Inter-Individual Variations Metabolism

No inter-individual variations available

Back