Identification

PhytoHub ID
PHUB000442
Name
Histidine-betaxanthin
Synonyms
  • Muscaaurin VII
CAS Number
81943-08-0
Average Mass
348.315
Monoisotopic Mass
348.106984251
Chemical Formula
C15H16N4O6
IUPAC Name
Not Available
InChI Key
BSRYRWSRAZYVFS-MISNAGCKSA-N
InChI Identifier
InChI=1S/C15H16N4O6/c20-13(21)10(5-9-6-16-7-18-9)17-2-1-8-3-11(14(22)23)19-12(4-8)15(24)25/h1-3,6-7,10,12,19H,4-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)/b8-1-,17-2-/t10?,12-/m0/s1
SMILES
[H][C@]1(C\C(=C/C=N\C(CC2=CNC=N2)C(O)=O)C=C(N1)C(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
9
Hydrogen Donors
5
Rotatable Bond Count
7
Polar Surface Area
164.96999999999997
Refractivity
85.30830000000002
Polarizability
33.1488383638474
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
8.814657014814369
pKa (strongest acidic)
1.5216833742090379
FreewebChemaxon powered

Taxonomy

Family
N-containing compounds
Class
Alkaloids
Sub-class
Betalains

Spectra

No spectra information available

Food Sources

NameGroup
Prickly pearFruit, Tropical fruits PublicationsShow
Swiss chardVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

Back