precursor
Showing entry for Carane
Identification
- PhytoHub ID
- PHUB000029
- Name
- Carane
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 138.254
- Monoisotopic Mass
- 138.14085058
- Chemical Formula
- C10H18
- IUPAC Name
- carane
- InChI Key
- BWRHOYDPVJPXMF-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
- SMILES
CC1CCC2C(C1)C2(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.89e-03 g/l
- LogS (ALOGPS)
- -4.55
- LogP (ALOGPS)
- 4.02
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 0.0
- Refractivity
- 43.872299999999996
- Polarizability
- 17.989229463750736
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 35663
- PubChem
- 79043
- Chemistry Dashboard
- DTXSID10858852
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
Record ID | Source | Description | View |
---|---|---|---|
JP006005 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006006 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006008 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP006009 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
JP007401 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Cheese | Milk and milk products | Publications | Show |
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Carane | Carane 9,10-dicarboxylic acid | rabbit | urine | C10H14O4 | 198.089208931 | Publications |