Identification

PhytoHub ID
PHUB000078
Name
Phellandrene-beta
Systematic Name
Not Available
Synonyms
  • p-Mentha-1(7),2-diene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
β phellandrene
InChI Key
LFJQCDVYDGGFCH-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
SMILES
CC(C)C1CCC(=C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
3.44e-02 g/l
LogS (ALOGPS)
-3.60
LogP (ALOGPS)
3.98
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
46.746900000000004
Polarizability
17.462352209212536
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

Taxonomy as Precursor

Family
Terpenoids
Class
Monoterpenoids
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP004717MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow
ParsleyHerbs and SpicesShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

Back