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
FreewebChemaxon powered

Taxonomy

Family
N-containing compounds
Class
Alkaloids
Sub-class
Betalains

Spectra

No spectra information available

Food Sources

NameGroup
Swiss chardVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

Back