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
Similar Structures

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

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Carene m-mentha-4,6-dien-8-olrabbiturine (major)Not AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Carene Cymen-8-ol (m-)rabbiturine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC10H14O150.104465071 Publications
Carene 3-Carene-9-olrabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H16O152.120115135 Publications
Carene 3-Carene-9-carboxylic acidrabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H14O2166.099379691 Publications
Carene 3-carene-9,10-dicarboxylic acidrabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H12O4196.073558866 Publications
Carene 3-caren-10-ol-9-carboxylic acidrabbiturineNot AvailableNot AvailableNot AvailableNot AvailableC10H14O3182.094294311 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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