Menthyl isovalerate
precursor
Showing entry for Menthyl isovalerate
Identification
- PhytoHub ID
- PHUB002812
- Name
- Menthyl isovalerate
- Systematic Name
- Not Available
- Synonyms
- Menthol isovalerate
- CAS Number
- 16409-46-4
- Average Mass
- 240.387
- Monoisotopic Mass
- 240.208930142
- Chemical Formula
- C15H28O2
- IUPAC Name
- Not Available
- InChI Key
- VYQSSWZYPCCBRN-HZSPNIEDSA-N
- InChI Identifier
InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3/t12-,13+,14-/m1/s1
- SMILES
CC(C)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 565690
- FooDB (Compounds)
- FDB016218
- HMDB
- HMDB0037211
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Peppermint | Herbs and Spices | Publications | Show |
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