Dopamine-betaxanthin
precursor
Showing entry for Dopamine-betaxanthin
Identification
- PhytoHub ID
- PHUB000441
- Name
- Dopamine-betaxanthin
- Synonyms
- Miraxanthin V
- miraxanthin-V
- CAS Number
- 5375-64-4
- Average Mass
- 346.339
- Monoisotopic Mass
- 346.116486308
- Chemical Formula
- C17H18N2O6
- IUPAC Name
- miraxanthin-V
- InChI Key
- PDKFHZWVCCZUIF-YJHWCPSBSA-N
- InChI Identifier
InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-
- SMILES
OC(=O)C1C\C(=C/C=N\CCC2=CC=C(O)C(O)=C2)C=C(N1)C(O)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.64e-02 g/l
- LogS (ALOGPS)
- -3.66
- LogP (ALOGPS)
- 2.22
- Hydrogen Acceptors
- 8
- Hydrogen Donors
- 5
- Rotatable Bond Count
- 6
- Polar Surface Area
- 139.45
- Refractivity
- 91.06320000000001
- Polarizability
- 34.88952504875862
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- 11.70690806290992
- pKa (strongest acidic)
- 3.588950811097332
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
Dopamine-betaxanthin