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 Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found