Identification

PhytoHub ID
PHUB000996
Name
Perillic acid
Systematic Name
p-mentha-1,8-dien-7-oic acid
Synonyms
  • 4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
CAS Number
7694-45-3
Average Mass
166.22
Monoisotopic Mass
166.099379691
Chemical Formula
C10H14O2
IUPAC Name
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid
InChI Key
FHTHLGGWYHOQOW-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)
SMILES
CC(=C)C1CCC(=CC1)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.63e+00 g/l
LogS (ALOGPS)
-2.01
LogP (ALOGPS)
2.47
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
2
Polar Surface Area
37.3
Refractivity
48.197500000000005
Polarizability
18.63593048602701
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
Not Available
pKa (strongest acidic)
4.791787353232393
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
Perillyl aldehydeTerpenoidsMonoterpenoidsNot AvailableShow Food Phytochemical

Spectra from Phytohub

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

Inter-Individual Variations in Metabolism

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