Identification

PhytoHub ID
PHUB001465
Name
lupanine
Synonyms
  • 2-oxosparteine
CAS Number
550-90-3
Average Mass
248.37
Monoisotopic Mass
248.188863401
Chemical Formula
C15H24N2O
IUPAC Name
Not Available
InChI Key
JYIJIIVLEOETIQ-XDQVBPFNSA-N
InChI Identifier
InChI=1S/C15H24N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h11-14H,1-10H2/t11-,12-,13-,14+/m0/s1
SMILES
[H][C@]12CN3C(=O)CCC[C@]3([H])[C@]([H])(CN3CCCC[C@@]13[H])C2
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
0
Polar Surface Area
23.55
Refractivity
71.4485
Polarizability
28.04615264402782
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
9.75154362875031
pKa (strongest acidic)
Not Available
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Taxonomy

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

Spectra

No spectra information available

Food Sources

NameGroup
White lupin beansPulses and beans PublicationsShow

Metabolism

No metabolism information available

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