Perillyl alcohol
Showing entry for Perillyl alcohol
Identification
- PhytoHub ID
- PHUB000075
- Name
- Perillyl alcohol
- Systematic Name
- p-mentha-1,8-dien-7-ol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
- InChI Key
- NDTYTMIUWGWIMO-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
- SMILES
CC(=C)C1CCC(CO)=CC1
- Structure
Structure for Perillyl alcohol
Calculated Properties
- Solubility (ALOGPS)
- 1.90e+00 g/l
- LogS (ALOGPS)
- -1.90
- LogP (ALOGPS)
- 2.50
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 2
- Polar Surface Area
- 20.23
- Refractivity
- 48.254999999999995
- Polarizability
- 18.192700290685636
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.986736242852114
- pKa (strongest acidic)
- 16.85657008950134
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 15420
- PubChem
- 10819
- Chemistry Dashboard
- DTXSID4052180
- MetaboLights
- MTBLC15420
- FooDB (Compounds)
- FDB014923
- PeakForestCompound
- 000068
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show 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