Identification

PhytoHub ID
PHUB000939
Name
12-Hydroxyfarnesol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
238.371
Monoisotopic Mass
238.193280077
Chemical Formula
C15H26O2
IUPAC Name
(2E,6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene-1,12-diol
InChI Key
FLIKBVTXNBEPQQ-RDUMTQBOSA-N
InChI Identifier
InChI=1S/C15H26O2/c1-13(7-5-9-15(3)12-17)6-4-8-14(2)10-11-16/h6,9-10,16-17H,4-5,7-8,11-12H2,1-3H3/b13-6+,14-10+,15-9+
SMILES
C\C(CO)=C/CC\C(C)=C\CC\C(C)=C\CO
Structure

Calculated Properties

Solubility (ALOGPS)
1.42e-01 g/l
LogS (ALOGPS)
-3.22
LogP (ALOGPS)
3.52
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
8
Polar Surface Area
40.46
Refractivity
76.75939999999999
Polarizability
29.64301993535738
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.0797068162575387
pKa (strongest acidic)
16.158211152107278
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Precursor Taxonomy

PrecursorFamilyClassSub-class
FarnesolTerpenoidsSesquiterpenoidsNot AvailableShow Precursor

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
["Fatty alcohols", "Hydrocarbon derivatives", "Primary alcohols"]
External Descriptor Annotations
["farnesane sesquiterpenoid", "glycol", "polyprenol"]
Substituent Names
["Alcohol", "Aliphatic acyclic compound", "Farsesane sesquiterpenoid", "Fatty acyl", "Fatty alcohol", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Sesquiterpenoid"]

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
FarnesolAppleFruit, Pomes PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluidsOriginFormulaMonoisotopic mass
Farnesol 12-Hydroxyfarnesolin vitro (human)Not AvailableunknownC15H26O2238.193280077 Publications
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