Sparteine
precursor
Showing entry for Sparteine
Identification
- PhytoHub ID
- PHUB001469
- Name
- Sparteine
- Systematic Name
- Not Available
- Synonyms
- lupinidine
- CAS Number
- 90-39-1
- Average Mass
- 234.387
- Monoisotopic Mass
- 234.209598845
- Chemical Formula
- C15H26N2
- IUPAC Name
- (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.0^{2,7}.0^{10,15}]heptadecane
- InChI Key
- SLRCCWJSBJZJBV-ZQDZILKHSA-N
- InChI Identifier
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
- SMILES
[H][C@]12CN3CCCC[C@@]3([H])[C@]([H])(CN3CCCC[C@]13[H])C2
- Structure
Structure for Sparteine
Calculated Properties
- Solubility (ALOGPS)
- 9.31e-01 g/l
- LogS (ALOGPS)
- -2.40
- LogP (ALOGPS)
- 2.98
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 0
- Polar Surface Area
- 6.48
- Refractivity
- 71.823
- Polarizability
- 28.77818105315011
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 9.16023077227616
- pKa (strongest acidic)
- Not Available
- Number of Rings
- 4
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- Yes
- MDDR-like Rule
- No
External Links
- ChEBI
- CHEBI:28827
- PeakForestCompound
- 000896
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Miscellaneous alkaloids
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Lupin alkaloids
- Super-class
- Alkaloids and derivatives
- Sub-class
- Sparteine, lupanine, and related alkaloids
- Direct Parent Name
- Sparteine, lupanine, and related alkaloids
- Alternative Parent Names
- ["Azacyclic compounds", "Hydrocarbon derivatives", "Organopnictogen compounds", "Piperidines", "Quinolizidines", "Trialkylamines"]
- External Descriptor Annotations
- ["quinolizidine alkaloid", "quinolizidine alkaloid fundamental parent"]
- Substituent Names
- ["Aliphatic heteropolycyclic compound", "Amine", "Azacycle", "Hydrocarbon derivative", "Organic nitrogen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organopnictogen compound", "Piperidine", "Quinolizidine", "Sparteine-lupanine skeleton", "Tertiary aliphatic amine", "Tertiary amine"]
Spectra from Online Resources
No spectra information available
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