precursor

Showing entry for dihydroxy-p-mentha-8-en-7-oic acid glucuronide

Identification

PhytoHub ID
PHUB002610
Name
dihydroxy-p-mentha-8-en-7-oic acid glucuronide
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
378.374
Monoisotopic Mass
378.152597037
Chemical Formula
C16H26O10
IUPAC Name
5-[2-(4-carboxycyclohexyl)-2-hydroxypropoxy]-3,4,6-trihydroxyoxane-2-carboxylic acid
InChI Key
QEZQNDAPWNOOHQ-UHFFFAOYNA-N
InChI Identifier
InChI=1/C16H26O10/c1-16(24,8-4-2-7(3-5-8)13(19)20)6-25-12-10(18)9(17)11(14(21)22)26-15(12)23/h7-12,15,17-18,23-24H,2-6H2,1H3,(H,19,20)(H,21,22)
SMILES
CC(O)(COC1C(O)OC(C(O)C1O)C(O)=O)C1CCC(CC1)C(O)=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.98e+01 g/l
LogS (ALOGPS)
-1.28
LogP (ALOGPS)
-0.94
Hydrogen Acceptors
10
Hydrogen Donors
6
Rotatable Bond Count
6
Polar Surface Area
173.98
Refractivity
83.12759999999999
Polarizability
37.670585354527205
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.225126166604707
pKa (strongest acidic)
3.2974708925102068
Number of Rings
2
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

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

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Limonene dihydroxy-p-mentha-8-en-7-oic acid glucuronideratNot AvailableunknownNot AvailableNot AvailableNot AvailableC16H26O10378.152597037 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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