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
Similar Structures

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 Online Resources

Record IDSourceDescriptionView
JP000133MassBankEI-B Spectrum - -, [M]+*View Spectra
JP005732MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006591MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006607MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006682MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
GrapeFruit, Berries PublicationsShow
Grape wineBeverages, Alcoholic PublicationsShow
TeaTeas and herbal teas 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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