precursor
Showing entry for Menthone
Identification
- PhytoHub ID
- PHUB000063
- Name
- Menthone
- Synonyms
- Menthone (L-)
- CAS Number
- Not Available
- Average Mass
- 154.253
- Monoisotopic Mass
- 154.1357652
- Chemical Formula
- C10H18O
- IUPAC Name
- (-)-menthone
- InChI Key
- NFLGAXVYCFJBMK-BDAKNGLRSA-N
- InChI Identifier
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
- SMILES
CC(C)[C@@H]1CC[C@@H](C)CC1=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.65e-01 g/l
- LogS (ALOGPS)
- -2.77
- LogP (ALOGPS)
- 2.65
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 17.07
- Refractivity
- 46.5201
- Polarizability
- 19.024394221277838
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -7.420780675838815
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 15410
- ChEBI
- 36492
- PubChem
- 26447
- Chemistry Dashboard
- DTXSID3044384
- MetaboLights
- MTBLC15410
- FooDB (Compounds)
- FDB009778
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP000248 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP000321 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP004932 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP005799 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006595 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006609 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006610 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006958 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007382 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007383 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007394 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007542 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007562 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007933 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008386 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP008619 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP010853 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP010856 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Peppermint | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available