metabolite

Showing entry for 8-hydroxylinalool

Identification

PhytoHub ID
PHUB003087
Name
8-hydroxylinalool
Systematic Name
3,7-dimethylocta-1,6-dien-3,8-diol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
(2Z)-2,6-dimethylocta-2,7-diene-1,6-diol
InChI Key
NSMIMJYEKVSYMT-TWGQIWQCNA-N
InChI Identifier
InChI=1/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6-
SMILES
C\C(CO)=C\CCC(C)(O)C=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
2
Rotatable Bond Count
5
Polar Surface Area
40.46
Refractivity
51.981300000000005
Polarizability
20.143879123813708
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.2856637071402215
pKa (strongest acidic)
16.644023096128976
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

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

Back