dihydroxy-p-mentha-8-en-7-oic acid glucuronide
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
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
External Links
No external links
Taxonomy as Food Phytochemical
- 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
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Limonene | dihydroxy-p-mentha-8-en-7-oic acid glucuronide | rat | Not Available | unknown | Not Available | Not Available | Not Available | C16H26O10 | 378.152597037 | Publications |
Inter-Individual Variations in Metabolism
Food Phytochemical | Metabolite | Effect | Value |
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