Rishitin
precursor
Showing entry for Rishitin
Identification
- PhytoHub ID
- PHUB000144
- Name
- Rishitin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 222.328
- Monoisotopic Mass
- 222.161979948
- Chemical Formula
- C14H22O2
- IUPAC Name
- rishitin
- InChI Key
- XSCYYIVXGBKTOC-GZZJDILISA-N
- InChI Identifier
InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3/t9-,10+,13+,14+/m0/s1
- SMILES
[H]O[C@@H]1CC2=C(C([H])([H])[C@@H](CC2)C(=C([H])[H])C([H])([H])[H])[C@@]([H])([C@H]1O[H])C([H])([H])[H]
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.51e+00 g/l
- LogS (ALOGPS)
- -2.17
- LogP (ALOGPS)
- 1.91
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 1
- Polar Surface Area
- 40.46
- Refractivity
- 65.6647
- Polarizability
- 25.801242608366596
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.182527136116196
- pKa (strongest acidic)
- 13.693797446447238
External Links
- ChEBI
- 8870
- PubChem
- 108064
- Chemistry Dashboard
- DTXSID60171184
- FooDB (Compounds)
- FDB007140
Taxonomy
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP005494 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP005495 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006403 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP006978 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Damaged potato | Vegetables, Tubers | Publications | Show | |
| Tomato | Vegetables, Fruit vegetables | Show |
Metabolism
No metabolism information available
Rishitin