Histidine-betaxanthin
precursor
Showing entry for Histidine-betaxanthin
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
Taxonomy
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Betalains
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Prickly pear | Fruit, Tropical fruits | Publications | Show | |
| Swiss chard | Vegetables, Leaf vegetables | Publications | Show |
Metabolism
No metabolism information available
Histidine-betaxanthin