Identification

PhytoHub ID
PHUB000942
Name
Farnesoic acid
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
28.885549951303325
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
5.12157483965426
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Precursor Taxonomy

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Farnesol Farnesoic acidin vitro (rat)Not Available Publications
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