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

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 Precursor

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Online Resources

No spectra information available

Food Sources

No food source information available

Metabolism

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