precursor

Showing entry for Physoperuvine

Identification

PhytoHub ID
PHUB000833
Name
Physoperuvine
Systematic Name
Not Available
Synonyms
  • 1-Hydroxytropane
CAS Number
Not Available
Average Mass
141.214
Monoisotopic Mass
141.115364107
Chemical Formula
C8H15NO
IUPAC Name
8-methyl-8-azabicyclo[3.2.1]octan-1-ol
InChI Key
BKWVNPXVPQOROM-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C8H15NO/c1-9-7-3-2-5-8(9,10)6-4-7/h7,10H,2-6H2,1H3
SMILES
CN1C2CCC1(O)CCC2
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
3.81e+02 g/l
LogS (ALOGPS)
0.43
LogP (ALOGPS)
0.68
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
0
Polar Surface Area
23.47
Refractivity
40.6996
Polarizability
16.026652093194528
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.013518361442477
pKa (strongest acidic)
13.212127692903627
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
N-containing compounds
Class
Alkaloids
Sub-class
Miscellaneous alkaloids

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

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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