Identification

PhytoHub ID
PHUB000825
Name
Albine
Systematic Name
Not Available
Synonyms
  • Dehydroalbine
CAS Number
53915-26-7
Average Mass
232.327
Monoisotopic Mass
232.157563272
Chemical Formula
C14H20N2O
IUPAC Name
Not Available
InChI Key
QJVOZXGJOGJKPT-RVUVTHLHNA-N
InChI Identifier
InChI=1/C14H20N2O/c1-2-3-13-12-6-10(8-15-13)9-16-5-4-11(17)7-14(12)16/h2,4-5,10,12-15H,1,3,6-9H2/t10-,12-,13-,14-/s2
SMILES
C=CC[[email protected]]1NC[[email protected]]2C[[email protected]]1[[email protected]]1CC(=O)C=CN1C2
Structure

Calculated Properties

Solubility (ALOGPS)
2.74e+00 g/l
LogS (ALOGPS)
-1.93
LogP (ALOGPS)
0.39
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Precursor

Family
N-containing compounds
Class
Alkaloids
Sub-class
Miscellaneous alkaloids

Spectra

No spectra information available

Food Sources

NameGroup
White lupin beansPulses and beans PublicationsShow

Food Sources of its Precursor(s)

No food source information available of its precursor(s)

Metabolism

No metabolism information available

Inter-Individual Variations Metabolism

No inter-individual variations available

Back