Identification

PhytoHub ID
PHUB000938
Name
Farnesol glucuronide
Synonyms
  • Farnesyl glucuronide
CAS Number
Not Available
Average Mass
398.496
Monoisotopic Mass
398.230453435
Chemical Formula
C21H34O7
IUPAC Name
3,4,5-trihydroxy-6-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}oxane-2-carboxylic acid
InChI Key
GNEHABOQLSVVFN-YFVJMOTDSA-N
InChI Identifier
InChI=1S/C21H34O7/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-27-21-18(24)16(22)17(23)19(28-21)20(25)26/h7,9,11,16-19,21-24H,5-6,8,10,12H2,1-4H3,(H,25,26)/b14-9+,15-11+
SMILES
CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1OC(C(O)C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
2.86e-01 g/l
LogS (ALOGPS)
-3.14
LogP (ALOGPS)
2.65
Hydrogen Acceptors
7
Hydrogen Donors
4
Rotatable Bond Count
10
Polar Surface Area
116.45
Refractivity
107.26539999999997
Polarizability
44.58750265028968
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-3.6864999067169997
pKa (strongest acidic)
3.566985289521737
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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 Farnesol glucuronidein vitro (human)Not Available Publications
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