Albine
precursor
Showing entry for Albine
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-FMKGYKFTSA-N
- InChI Identifier
InChI=1S/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-/m1/s1
- SMILES
C=CC[C@H]1NC[C@H]2C[C@H]1[C@H]1CC(=O)C=CN1C2
- Structure
Structure for Albine
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
External Links
- PubChem
- 442936
- ChEBI
- CHEBI:2547
- PeakForestCompound
- 000625
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Miscellaneous alkaloids
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| White lupin beans | Pulses and beans | Publications | Show |
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