precursor

Showing entry for Longifolene

Identification

PhytoHub ID
PHUB000135
Name
Longifolene
Systematic Name
Not Available
Synonyms
  • Junipene
  • Kiromatsuene
CAS Number
Not Available
Average Mass
204.357
Monoisotopic Mass
204.187800773
Chemical Formula
C15H24
IUPAC Name
3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.0^{2,9}]undecane
InChI Key
PDSNLYSELAIEBU-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3
SMILES
CC12CCCC(C)(C)C3C(CCC13)C2=C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
1.26e-03 g/l
LogS (ALOGPS)
-5.21
LogP (ALOGPS)
4.65
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
64.6219
Polarizability
25.434458815561047
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeTechnologyIon ModeCollision EnergyView

Food Sources

NameGroup
CheeseMilk and milk products PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Longifolene 14-hydroxyisolongifoldaldehyderabbiturine (major)Not AvailableNot AvailableNot AvailableNot AvailableC15H24O2236.177630013 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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