Carene
precursor
Showing entry for Carene
Identification
- PhytoHub ID
- PHUB000030
- Name
- Carene
- Systematic Name
- Not Available
- Synonyms
- Car-3-ene
- Carene (3-)
- Carene (delta-3-)
- Isodiprene
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- 3,7,7-trimethylbicyclo[4.1.0]hept-1-ene
- InChI Key
- KALFVDDBBPRATR-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6-8H,4-5H2,1-3H3
- SMILES
CC1CCC2C(=C1)C2(C)C
- Structure
Structure for Carene
Calculated Properties
- Solubility (ALOGPS)
- 1.78e-01 g/l
- LogS (ALOGPS)
- -2.88
- LogP (ALOGPS)
- 4.17
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 0.0
- Refractivity
- 44.7223
- Polarizability
- 17.45236598390039
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 2
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Spectra from Phytohub
|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Grape wine | Beverages, Alcoholic | Publications | Show | |
| Mandarin orange (Clementine, Tangerine) | Fruit, Citrus | Publications | Show | |
| Pepper | Herbs and Spices | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Carene | m-mentha-4,6-dien-8-ol | rabbit | urine (major) | Not Available | Not Available | Not Available | Not Available | C10H16O | 152.120115135 | Publications | |||
| Carene | Cymen-8-ol (m-) | rabbit | urine (minor) | Not Available | Not Available | Not Available | Not Available | C10H14O | 150.104465071 | Publications | |||
| Carene | 3-Carene-9-ol | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H16O | 152.120115135 | Publications | |||
| Carene | 3-Carene-9-carboxylic acid | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H14O2 | 166.099379691 | Publications | |||
| Carene | 3-carene-9,10-dicarboxylic acid | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H12O4 | 196.073558866 | Publications | |||
| Carene | 3-caren-10-ol-9-carboxylic acid | rabbit | urine | Not Available | Not Available | Not Available | Not Available | C10H14O3 | 182.094294311 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|