metabolite

Showing entry for cis-verbenol

Identification

PhytoHub ID
PHUB001824
Name
cis-verbenol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
152.281
Monoisotopic Mass
152.156500644
Chemical Formula
C11H20
IUPAC Name
2,4,6,6-tetramethylbicyclo[3.1.1]heptane
InChI Key
NKUWZAYVBOPIIR-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C11H20/c1-7-5-8(2)10-6-9(7)11(10,3)4/h7-10H,5-6H2,1-4H3
SMILES
CC1CC(C)C2CC1C2(C)C
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.40e-03 g/l
LogS (ALOGPS)
-4.80
LogP (ALOGPS)
4.02
Hydrogen Acceptors
0
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
0.0
Refractivity
48.420899999999996
Polarizability
19.73904200123142
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 Metabolite

Family
Terpenoid metabolites
Class
Monoterpenoid metabolites
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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