Identification

PhytoHub ID
PHUB000443
Name
tyrosine-betaxanthin
Synonyms
  • Portulacaxanthin II
CAS Number
Not Available
Average Mass
374.349
Monoisotopic Mass
374.111400928
Chemical Formula
C18H18N2O7
IUPAC Name
Not Available
InChI Key
XZCZKQZHJKYDQW-RFMXEPQUSA-N
InChI Identifier
InChI=1S/C18H18N2O7/c21-12-3-1-10(2-4-12)7-13(16(22)23)19-6-5-11-8-14(17(24)25)20-15(9-11)18(26)27/h1-6,8,13,15,19,21H,7,9H2,(H,22,23)(H,24,25)(H,26,27)/b6-5+/t13-,15-/m0/s1
SMILES
OC(=O)[C@H](CC1=CC=C(O)C=C1)N\C=C\C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
7.83e-02 g/l
LogS (ALOGPS)
-3.68
LogP (ALOGPS)
1.55
Hydrogen Acceptors
9
Hydrogen Donors
5
Rotatable Bond Count
8
Polar Surface Area
156.51999999999998
Refractivity
93.87830000000001
Polarizability
36.46748189449136
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
8.844080271219996
pKa (strongest acidic)
1.116795961781436
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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

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