| Common Name |
naringenin-4-O-glucuronide
| Description |
Naringenin-4-O-glucuronide is an orange/orange juice metabolite in urine.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29208 (naringenin-4'-O-glucuronide)
| Synonyms |
Not Available
| Chemical Formlia |
C21H20O11
| Average Molecliar Weight |
448.3769
| Monoisotopic Molecliar Weight |
448.100561482
| IUPAC Name |
(3S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Traditional Name |
(3S,5R,6S)-6-[4-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| CAS Registry Number |
Not Available
| SMILES |
OC1[C@@H](O)[C@H](OC2=CC=C(C=C2)C2CC(=O)C3=C(O)C=C(O)C=C3O2)OC([C@H]1O)C(O)=O
| InChI Identifier |
InChI=1S/C21H20O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13?,16?,17-,18+,19?,21+/m0/s1
| InChI Key |
DFIUUCDSSKATFP-GUOJJKSBSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Phenylpropanoids and polyketides
| Sub Class |
Flavonoids
| Direct Parent |
Flavonoid O-glucuronides
| Alternative Parents |
5-hydroxyflavonoids
7-hydroxyflavonoids
Flavanones
Phenolic glycosides
O-glucuronides
Hexoses
Chromones
O-glycosyl compounds
Aryl alkyl ketones
Phenoxy compounds
Phenol ethers
1-hydroxy-4-unsubstituted benzenoids
Beta hydroxy acids and derivatives
1-hydroxy-2-unsubstituted benzenoids
Alkyl aryl ethers
Pyrans
Oxanes
Vinylogous acids
Secondary alcohols
Monocarboxylic acids and derivatives
Polyols
Carboxylic acids
Acetals
Oxacyclic compounds
Hydrocarbon derivatives
Organic oxides
| Substituents |
Flavonoid-4p-o-glucuronide
Flavanone
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Flavan
Phenolic glycoside
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Hexose monosaccharide
Glycosyl compound
Chromone
O-glycosyl compound
Chromane
1-benzopyran
Benzopyran
Phenol ether
Aryl ketone
Phenoxy compound
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy acid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Pyran
Oxane
Benzenoid
Hydroxy acid
Monosaccharide
Monocyclic benzene moiety
Vinylogous acid
Secondary alcohol
Ketone
Acetal
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Ether
Alcohol
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound
| Molecliar Framework |
Aromatic heteropolycyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Not Available
| Biofunction |
Waste products
| 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 |
Water Solubility1.48 mg/mLALOGPS
logP0.73ALOGPS
logP0.89ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area183.21 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity103.3 m3·mol-1ChemAxon
Polarizability43.09 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 |
Blood
Urine
| Tissue Location |
Kidney
Liver
| Pathways |
Not Available
| Normal Concentrations |
BloodExpected but not Quantified Not AvailableNot AvailableNormal
details
UrineExpected but not Quantified Not AvailableNot AvailableNormal
details
|
| 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 |
HMDB29208
| Metagene Link |
HMDB29208
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Norverapamil (hydrochloride)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 22110371
