Pinocarvone
precursor
Showing entry for Pinocarvone
Identification
- PhytoHub ID
- PHUB002707
- Name
- Pinocarvone
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- 30460-92-5
- Average Mass
- 150.221
- Monoisotopic Mass
- 150.104465071
- Chemical Formula
- C10H14O
- IUPAC Name
- 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
- InChI Key
- TZDMGBLPGZXHJI-UHFFFAOYNA-N
- InChI Identifier
InChI=1/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3
- SMILES
CC1(C)C2CC1C(=C)C(=O)C2
- Structure
Structure for Pinocarvone
Calculated Properties
- Solubility (ALOGPS)
- 6.16e-01 g/l
- LogS (ALOGPS)
- -2.39
- LogP (ALOGPS)
- 2.28
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 17.07
- Refractivity
- 44.342999999999996
- Polarizability
- 17.25553305985391
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.991396238530265
- pKa (strongest acidic)
- Not Available
- 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