2-hydroxy-p-menthan-7-oic acid glucuronide
Showing entry for 2-hydroxy-p-menthan-7-oic acid glucuronide
Identification
- PhytoHub ID
- PHUB002613
- Name
- 2-hydroxy-p-menthan-7-oic acid glucuronide
- Systematic Name
- p-menthan-7-oic acid-2-glucuronide
- Synonyms
- p-menthan-7-oic acid-2-glucuronide
- CAS Number
- Not Available
- Average Mass
- 362.375
- Monoisotopic Mass
- 362.157682417
- Chemical Formula
- C16H26O9
- IUPAC Name
- 6-{[2-carboxy-5-(propan-2-yl)cyclohexyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- YMMUAFLTYVRZOI-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C16H26O9/c1-6(2)7-3-4-8(14(19)20)9(5-7)24-13-11(18)10(17)12(15(21)22)25-16(13)23/h6-13,16-18,23H,3-5H2,1-2H3,(H,19,20)(H,21,22)
- SMILES
CC(C)C1CCC(C(C1)OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O
- Structure
Structure for 2-hydroxy-p-menthan-7-oic acid glucuronide
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 5
- Polar Surface Area
- 153.75
- Refractivity
- 81.3403
- Polarizability
- 36.00746694383338
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.686499526302678
- pKa (strongest acidic)
- 3.297600972343084
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Metabolite
- Family
- Terpenoid metabolites
- Class
- Monoterpenoid metabolites
- Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Limonene | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found