| Common Name |
Cyanidin-3-galactoside
| Description |
Cyanidin-3-galactoside is a metabolite of cranberry consumption found in both plasma and urine.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29195 (Cyanidin-3-galactoside)
| Synonyms |
Not Available
| Chemical Formlia |
C21H21ClO11
| Average Molecliar Weight |
484.838
| Monoisotopic Molecliar Weight |
484.077239221
| IUPAC Name |
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chloride
| Traditional Name |
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chloride
| CAS Registry Number |
Not Available
| SMILES |
[Cl-].OCC1OC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C(O)C1O
| InChI Identifier |
InChI=1S/C21H21O11.ClH/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;/h1-6,16-19,21-29H,7H2;1H/p-1
| InChI Key |
FYKHPEAKNQVJNQ-UHFFFAOYSA-M
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Phenylpropanoids and polyketides
| Sub Class |
Flavonoids
| Direct Parent |
7-hydroxyflavonoids
| Alternative Parents |
3-hydroxyflavonoids
5-hydroxyflavonoids
Hexoses
O-glycosyl compounds
Aryl ketones
Catechols
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Oxanes
Benzene and substituted derivatives
Secondary alcohols
Polyols
Oxacyclic compounds
Acetals
Organic chloride salts
Primary alcohols
Hydrocarbon derivatives
Organic anions
| Substituents |
3'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Catechol
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Oxane
Monocyclic benzene moiety
Monosaccharide
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Organic salt
Primary alcohol
Organic chloride salt
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic oxygen compound
Organic anion
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Not Available
| Biofunction |
Not Available
| Application |
Not Available
| Cellliar locations |
Not Available
| Physical Properties |
| State |
Solid
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
logP0.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area193.44 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity106.3 m3·mol-1ChemAxon
Polarizability42.98 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
Not Available
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
Not Available
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29195
| Metagene Link |
HMDB29195
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: 8-Nitrotryptanthrin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 25820982
