precursor
Showing entry for Cadinol
Identification
- PhytoHub ID
- PHUB000108
- Name
- Cadinol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 222.372
- Monoisotopic Mass
- 222.198365457
- Chemical Formula
- C15H26O
- IUPAC Name
- α-cadinol
- InChI Key
- LHYHMMRYTDARSZ-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3
- SMILES
CC(C)C1CCC(C)(O)C2CCC(C)=CC12
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 5.57e-02 g/l
- LogS (ALOGPS)
- -3.60
- LogP (ALOGPS)
- 3.52
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 1
- Polar Surface Area
- 20.23
- Refractivity
- 69.43050000000001
- Polarizability
- 27.804348680642452
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -0.5880059181230378
- pKa (strongest acidic)
- Not Available
Taxonomy
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP008387 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP010682 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP010694 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Grape | Fruit, Berries | Publications | Show |
Metabolism
No metabolism information available