Identification

PhytoHub ID
PHUB000077
Name
Phellandrene-alpha
Systematic Name
Not Available
Synonyms
  • p-Mentha-1,5-diene
CAS Number
Not Available
Average Mass
136.238
Monoisotopic Mass
136.125200515
Chemical Formula
C10H16
IUPAC Name
phellandrene
InChI Key
OGLDWXZKYODSOB-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
SMILES
CC(C)C1CC=C(C)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.33e-01 g/l
LogS (ALOGPS)
-3.01
LogP (ALOGPS)
4.29
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
1
Polar Surface Area
0.0
Refractivity
47.819399999999995
Polarizability
17.129949625928795
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
JP007116MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007397MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011073MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
DillHerbs and Spices PublicationsShow
Sweet bayHerbs and Spices PublicationsShow

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

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