Identification

PhytoHub ID
PHUB000029
Name
Carane
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
138.254
Monoisotopic Mass
138.14085058
Chemical Formula
C10H18
IUPAC Name
3,7,7-trimethylbicyclo[4.1.0]heptane
InChI Key
BWRHOYDPVJPXMF-UHFFFAOYNA-N
InChI Identifier
InChI=1/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
SMILES
CC1CCC2C(C1)C2(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.89e-03 g/l
LogS (ALOGPS)
-4.55
LogP (ALOGPS)
4.02
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
43.872299999999996
Polarizability
17.989229463750736
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 Online Resources

Record IDSourceDescriptionView
JP006005MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006006MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006008MassBankEI-B Spectrum - -, [M]+*View Spectra
JP006009MassBankEI-B Spectrum - -, [M]+*View Spectra
JP007401MassBankEI-B Spectrum - -, [M]+*View Spectra

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
Carane Carane 9,10-dicarboxylic acidrabbiturineunknownNot AvailableNot AvailableNot AvailableC10H14O4198.089208931 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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