Identification

PhytoHub ID
PHUB001023
Name
Perillyl aldehyde metabolite 2
Synonyms
Not Available
CAS Number
Not Available
Average Mass
154.253
Monoisotopic Mass
154.1357652
Chemical Formula
C10H18O
IUPAC Name
[4-(prop-1-en-2-yl)cyclohexyl]methanol
InChI Key
GMYHXOPIKMGWOM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h9-11H,1,3-7H2,2H3
SMILES
CC(=C)C1CCC(CO)CC1
Structure

Calculated Properties

Solubility (ALOGPS)
6.76e-01 g/l
LogS (ALOGPS)
-2.36
LogP (ALOGPS)
2.88
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
47.482
Polarizability
19.177734007344892
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.6427340361347467
pKa (strongest acidic)
17.643040612403414
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Perillyl aldehydeTerpenoidsMonoterpenoidsNot AvailableShow Precursor

Spectra

No spectra information available

Food Sources

PrecursorFood SourceFood Source Group
Perillyl aldehydeMandarin orange (Clementine, Tangerine)Fruit, Citrus PublicationsShow

Metabolism

PrecursorMetaboliteSpeciesBiofluids
Perillyl aldehyde Perillyl aldehyde metabolite 2rabbiturine Publications
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