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

Precursor Taxonomy

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Farnesol Farnesoic acidin vitro (rat)Not AvailableunknownC15H24O2236.177630013 Publications
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