precursor

Showing entry for Cyanidin-3-O-galactoside

Identification

PhytoHub ID
PHUB002544
Name
Cyanidin-3-O-galactoside
Systematic Name
Not Available
Synonyms
  • Cyanidin-3-galactoside
CAS Number
Not Available
Average Mass
449.387
Monoisotopic Mass
449.107837916
Chemical Formula
C21H21O11
IUPAC Name
Not Available
InChI Key
RKWHWFONKJEUEF-UHFFFAOYSA-O
InChI Identifier
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1
SMILES
O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
6.04e-01 g/l
LogS (ALOGPS)
-2.90
LogP (ALOGPS)
0.98
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Anthocyanins

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
BlueberryFruit, Berries PublicationsShow
CranberryFruit, Berries PublicationsShow
MangoFruit, Tropical fruits PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Cyanidin-3-O-galactoside Cyanidin 3-O-galactosideNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC21H21O11449.107837916 Detailed Intervention Studies
Cyanidin-3-O-galactoside Cyanidin-3-O-galactosidehumanplasma, urineunchanged1h-3h<20 nmol/L<1%C21H21O11449.107837916 Publications
Back