Ocimene-beta
precursor
Showing entry for Ocimene-beta
Identification
- PhytoHub ID
- PHUB000071
- Name
- Ocimene-beta
- Synonyms
- Allocimene
- Ocimene
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- ocimene
- InChI Key
- XJPBRODHZKDRCB-CSKARUKUSA-N
- InChI Identifier
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- SMILES
CC(=C)CC\C=C(/C)C=C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.71e-02 g/l
- LogS (ALOGPS)
- -3.25
- LogP (ALOGPS)
- 4.25
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 4
- Polar Surface Area
- 0.0
- Refractivity
- 48.379
- Polarizability
- 17.70968659233256
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
Taxonomy
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra
| Record ID | Source | Description | View |
|---|---|---|---|
| JP004717 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
| JP011073 | MassBank | EI-B Spectrum - -, [M]+* | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Apple | Fruit, Pomes | Publications | Show | |
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Sweet basil | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available
Ocimene-beta