Identification

PhytoHub ID
PHUB001000
Name
Dihydroperillic acid (trans-)
Systematic Name
E-p-menth-8-en-7-oic acid
Synonyms
Not Available
CAS Number
Not Available
Average Mass
168.236
Monoisotopic Mass
168.115029755
Chemical Formula
C10H16O2
IUPAC Name
(1s,4s)-4-(prop-1-en-2-yl)cyclohexane-1-carboxylic acid
InChI Key
XZOBEDLKVOHSSH-DTORHVGOSA-N
InChI Identifier
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)/t8-,9+
SMILES
CC(=C)[C@H]1CC[C@H](CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.60e+00 g/l
LogS (ALOGPS)
-2.02
LogP (ALOGPS)
2.56
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
47.321600000000004
Polarizability
18.861977363456948
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.939568069425187
Number of Rings
1
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
LimoneneTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene Dihydroperillic acid (trans-)human mouse ratplasma, urineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O2168.115029755 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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