| Common Name |
Cyanidin-3-arabinoside
| Description |
Cyanidin-3-arabinoside is a metabolite of cranberry consumption found in both plasma and urine.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29194 (Cyanidin-3-arabinoside)
| Synonyms |
Not Available
| Chemical Formlia |
C20H19ClO10
| Average Molecliar Weight |
454.812
| Monoisotopic Molecliar Weight |
454.066674535
| IUPAC Name |
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}oxane-3,4,5-triol chloride
| Traditional Name |
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ³-chromen-3-yl]oxy}oxane-3,4,5-triol chloride
| CAS Registry Number |
Not Available
| SMILES |
[Cl-].OC1COC(OC2=CC3=C(O)C=C(O)C=C3[O]=C2C2=CC(O)=C(O)C=C2)C(O)C1O
| InChI Identifier |
InChI=1S/C20H19O10.ClH/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8;/h1-6,14,17-18,20-27H,7H2;1H/p-1
| InChI Key |
SUWQOXQHTBNOSP-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
O-glycosyl compounds
Pentoses
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
Hydrocarbon derivatives
Organic anions
| Substituents |
3'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Glycosyl compound
O-glycosyl compound
Pentose monosaccharide
Catechol
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Monosaccharide
Oxane
Secondary alcohol
Polyol
Acetal
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Organic salt
Organic chloride salt
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 |
logP0.87ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area173.21 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity100.34 m3·mol-1ChemAxon
Polarizability40.22 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
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 |
HMDB29194
| Metagene Link |
HMDB29194
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: OABK (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 26460748
