Limonene
precursor
Showing entry for Limonene
Identification
- PhytoHub ID
- PHUB000051
- Name
- Limonene
- Systematic Name
- Not Available
- Synonyms
- Cajeputen
- Cinene
- Kautschin
- CAS Number
- Not Available
- Average Mass
- 136.238
- Monoisotopic Mass
- 136.125200515
- Chemical Formula
- C10H16
- IUPAC Name
- 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
- InChI Key
- XMGQYMWWDOXHJM-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
- SMILES
CC(=C)C1CCC(C)=CC1
- Structure
Structure for Limonene
Calculated Properties
- Solubility (ALOGPS)
- 4.57e-01 g/l
- LogS (ALOGPS)
- -2.47
- LogP (ALOGPS)
- 4.50
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 1
- Polar Surface Area
- 0.0
- Refractivity
- 46.4803
- Polarizability
- 17.227697311027917
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- 15384
- PubChem
- 22311
- Chemistry Dashboard
- DTXSID2029612
- MetaboLights
- MTBLC15384
- PeakForestCompound
- 000046
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Monoterpenoids
- Sub-class
- Not Available
Taxonomy as Metabolite
- Metabolite Family
- Terpenoid metabolites
- Metabolite Class
- Monoterpenoid metabolites
- Metabolite Sub-class
- Not Available
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Myrcene | Terpenoids | Monoterpenoids | Not Available | Show Food Phytochemical |
Spectra from Phytohub
Food Sources
Food Sources of its Food Phytochemical(s)
Role as Biomarker of intake
No roles as Biomarker of intake found