metabolite

Showing entry for p-menthane-7,9-diol

Identification

PhytoHub ID
PHUB003071
Name
p-menthane-7,9-diol
Systematic Name
p-menth-1-ene-7,9-diol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
170.252
Monoisotopic Mass
170.13067982
Chemical Formula
C10H18O2
IUPAC Name
2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]propan-1-ol
InChI Key
NALJNZGBMFKSIU-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2,8,10-12H,3-7H2,1H3
SMILES
CC(CO)C1CCC(CO)=CC1
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
3
Polar Surface Area
40.46
Refractivity
50.3292
Polarizability
20.243288304492943
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.4486333290561222
pKa (strongest acidic)
16.85658275173716
Number of Rings
1
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

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