Identification

PhytoHub ID
PHUB001022
Name
Perillyl aldehyde metabolite 1
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
(-)-perillyl alcohol
InChI Key
NDTYTMIUWGWIMO-SNVBAGLBSA-N
InChI Identifier
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
SMILES
CC(=C)[C@H]1CCC(CO)=CC1
Structure

Calculated Properties

Solubility (ALOGPS)
1.90e+00 g/l
LogS (ALOGPS)
-1.90
LogP (ALOGPS)
2.50
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
20.23
Refractivity
48.254999999999995
Polarizability
18.24945808747195
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.986736242852114
pKa (strongest acidic)
16.85657008950134
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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 1rabbiturine Publications
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