Hotrienol
precursor
Showing entry for Hotrienol
Identification
- PhytoHub ID
- PHUB000049
- Name
- Hotrienol
- Systematic Name
- Not Available
- Synonyms
- 3,7-Dimethylocta-1,5,7-trien-3-ol
- CAS Number
- Not Available
- Average Mass
- 152.237
- Monoisotopic Mass
- 152.120115135
- Chemical Formula
- C10H16O
- IUPAC Name
- (5E)-3,7-dimethylocta-1,5,7-trien-3-ol
- InChI Key
- ZJIQIJIQBTVTDY-VOTSOKGWSA-N
- InChI Identifier
InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h5-7,11H,1-2,8H2,3-4H3/b7-6+
- SMILES
[H]\C(CC(C)(O)C=C)=C(\[H])C(C)=C
- Structure
Structure for Hotrienol
Calculated Properties
- Solubility (ALOGPS)
- 3.12e-01 g/l
- LogS (ALOGPS)
- -2.69
- LogP (ALOGPS)
- 2.81
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 4
- Polar Surface Area
- 20.23
- Refractivity
- 50.2507
- Polarizability
- 18.609759294884093
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.3247526558772973
- pKa (strongest acidic)
- 18.37002136287769
- Number of Rings
- 0
- 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 | |||
|---|---|---|---|---|
| Grape | Fruit, Berries | Publications | Show | |
| Grape wine | Beverages, Alcoholic | Publications | Show | |
| Tea | Teas and herbal teas | 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