precursor

Showing entry for Pinocarveol

Identification

PhytoHub ID
PHUB002706
Name
Pinocarveol
Systematic Name
Not Available
Synonyms
  • 10-Pinen-3-ol
CAS Number
5947-36-4
Average Mass
152.237
Monoisotopic Mass
152.120115135
Chemical Formula
C10H16O
IUPAC Name
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-ol
InChI Key
LCYXQUJDODZYIJ-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3
SMILES
CC1(C)C2CC1C(=C)C(O)C2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.76e+00 g/l
LogS (ALOGPS)
-1.94
LogP (ALOGPS)
2.24
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
20.23
Refractivity
45.165299999999995
Polarizability
17.88013284266298
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.5139735302532713
pKa (strongest acidic)
17.937417626307106
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

NameGroup
Roman camomileHerbs and Spices PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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