Identification

PhytoHub ID
PHUB001875
Name
Betonicine
Synonyms
  • 4-Hydroxyproline betaine
  • 4-Hydroxystachydrine
  • Achillein
CAS Number
Not Available
Average Mass
159.183
Monoisotopic Mass
159.089543287
Chemical Formula
C7H13NO3
IUPAC Name
Not Available
InChI Key
MUNWAHDYFVYIKH-RITPCOANSA-N
InChI Identifier
InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
SMILES
[H][C@@]1(O)C[C@@]([H])(C([O-])=O)[N+](C)(C)C1
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
1
Polar Surface Area
60.36
Refractivity
61.427600000000005
Polarizability
15.894499251759953
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.5570117202950957
pKa (strongest acidic)
2.0584560741278652
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Taxonomy

Family
Miscellaneous phytochemicals
Class
Not Available
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
HorehoundHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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