Tyramine-betaxanthin
precursor
Showing entry for Tyramine-betaxanthin
Identification
- PhytoHub ID
- PHUB000440
- Name
- Tyramine-betaxanthin
- Synonyms
- Miraxanthin III
- CAS Number
- 5589-85-5
- Average Mass
- 330.34
- Monoisotopic Mass
- 330.121571688
- Chemical Formula
- C17H18N2O5
- IUPAC Name
- Miraxanthin-III
- InChI Key
- LWXJBFFPVPUUSL-JEUDWDASSA-N
- InChI Identifier
InChI=1S/C17H18N2O5/c20-13-3-1-11(2-4-13)5-7-18-8-6-12-9-14(16(21)22)19-15(10-12)17(23)24/h1-4,6,8-9,15,19-20H,5,7,10H2,(H,21,22)(H,23,24)/b12-6-,18-8-
- SMILES
OC(=O)C1C\C(=C/C=N\CCC2=CC=C(O)C=C2)C=C(N1)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 9.78e-02 g/l
- LogS (ALOGPS)
- -3.53
- LogP (ALOGPS)
- 2.17
- Hydrogen Acceptors
- 7
- Hydrogen Donors
- 4
- Rotatable Bond Count
- 6
- Polar Surface Area
- 119.22
- Refractivity
- 89.08230000000002
- Polarizability
- 33.99660486609703
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- 11.985247839429203
- pKa (strongest acidic)
- 3.5952633923159754
Taxonomy
- Family
- N-containing compounds
- Class
- Alkaloids
- Sub-class
- Betalains
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Swiss chard | Vegetables, Leaf vegetables | Publications | Show |
Metabolism
No metabolism information available
Tyramine-betaxanthin