metabolite

Showing entry for tetrahydrolinalool

Identification

PhytoHub ID
PHUB001822
Name
tetrahydrolinalool
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
158.285
Monoisotopic Mass
158.167065328
Chemical Formula
C10H22O
IUPAC Name
3,7-dimethyloctan-3-ol
InChI Key
DLHQZZUEERVIGQ-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
SMILES
CCC(C)(O)CCCC(C)C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.51e-01 g/l
LogS (ALOGPS)
-2.65
LogP (ALOGPS)
3.85
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
49.4665
Polarizability
20.654188143462473
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.0080044034675524
pKa (strongest acidic)
19.094182891020683
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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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