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-VOTSOKGWNA-N
InChI Identifier
InChI=1/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

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

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

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

Metabolism

No metabolism information available

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