Pinocarveol
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
Structure for Pinocarveol
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 Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Roman camomile | Herbs and Spices | Publications | Show |
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