| Common Name |
Peonidin-3-galactoside
| Description |
Peonidin-3-galactoside is a metabolite of cranberryand blackcurrent. It is found in both plasma and urine.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29210 (Peonidin-3-galactoside)
| Synonyms |
| Value |
Source |
2-(3-Methoxy-4-hydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium[chloride]HMDB
PEONIDIN 3-galactosideHMDB
Peonidin 3-O-beta-D-galactopyranosideHMDB
PEONIDIN 3-O-beta-galactosideHMDB
| Chemical Formlia |
C22H23ClO11
| Average Molecliar Weight |
498.864
| Monoisotopic Molecliar Weight |
498.092889285
| IUPAC Name |
2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chloride
| Traditional Name |
2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ³-chromen-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol chloride
| CAS Registry Number |
Not Available
| SMILES |
[Cl-].COC1=C(O)C=CC(=C1)C1=[O]C2=CC(O)=CC(O)=C2C=C1OC1OC(CO)C(O)C(O)C1O
| InChI Identifier |
InChI=1S/C22H23O11.ClH/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22;/h2-7,17-20,22-29H,8H2,1H3;1H/p-1
| InChI Key |
YLVGAYNXJPNMFQ-UHFFFAOYSA-M
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as 3-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3 atom of the flavonoid backbone.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Phenylpropanoids and polyketides
| Sub Class |
Flavonoids
| Direct Parent |
3-O-methylated flavonoids
| Alternative Parents |
5-hydroxyflavonoids
7-hydroxyflavonoids
Hexoses
O-glycosyl compounds
Methoxyphenols
Anisoles
Phenoxy compounds
Aryl ketones
Methoxybenzenes
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Alkyl aryl ethers
Oxanes
Secondary alcohols
Oxacyclic compounds
Polyols
Acetals
Primary alcohols
Hydrocarbon derivatives
Organic chloride salts
Organic anions
| Substituents |
3p-methoxyflavonoid-skeleton
Hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Methoxyphenol
Phenoxy compound
Phenol ether
Methoxybenzene
Aryl ketone
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Oxane
Monocyclic benzene moiety
Monosaccharide
Secondary alcohol
Oxacycle
Acetal
Organoheterocyclic compound
Ether
Polyol
Organic salt
Organic oxygen compound
Organic chloride salt
Hydrocarbon derivative
Primary alcohol
Alcohol
Organooxygen 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 |
logP0.39ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area182.44 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity110.79 m3·mol-1ChemAxon
Polarizability45.12 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 |
HMDB29210
| Metagene Link |
HMDB29210
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: 7,4-Di-O-methylapigenin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 20181591
