precursor

Showing entry for Hypaphorine

Identification

PhytoHub ID
PHUB003093
Name
Hypaphorine
Systematic Name
Not Available
Synonyms
  • Lenticin
CAS Number
487-58-1
Average Mass
246.31
Monoisotopic Mass
246.136827828
Chemical Formula
C14H18N2O2
IUPAC Name
(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
InChI Key
AOHCBEAZXHZMOR-ZDUSSCGKSA-N
InChI Identifier
InChI=1S/C14H18N2O2/c1-16(2,3)13(14(17)18)8-10-9-15-12-7-5-4-6-11(10)12/h4-7,9,13,15H,8H2,1-3H3/t13-/m0/s1
SMILES
C[N+](C)(C)[C@@H](CC1=CNC2=C1C=CC=C2)C([O-])=O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
2
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
55.92
Refractivity
93.02279999999999
Polarizability
26.59359240454748
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
3.6040758538792472
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

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

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

No food source information available

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

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