Isorhamnetin 7-O-glucuronide
Showing entry for Isorhamnetin 7-O-glucuronide
Identification
- PhytoHub ID
- PHUB001138
- Name
- Isorhamnetin 7-O-glucuronide
- Systematic Name
- Not Available
- Synonyms
- 3'-O-Methylquercetin 7-O-glucuronide
- CAS Number
- Not Available
- Average Mass
- 492.389
- Monoisotopic Mass
- 492.090390704
- Chemical Formula
- C22H20O13
- IUPAC Name
- 6-{[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- InChI Key
- BFNMTBBQGPCZCH-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)23)19-16(27)14(25)13-10(24)5-8(6-12(13)34-19)33-22-18(29)15(26)17(28)20(35-22)21(30)31/h2-6,15,17-18,20,22-24,26-29H,1H3,(H,30,31)
- SMILES
COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1
- Structure
Structure for Isorhamnetin 7-O-glucuronide
Calculated Properties
- Solubility (ALOGPS)
- 1.41e+00 g/l
- LogS (ALOGPS)
- -2.54
- LogP (ALOGPS)
- 1.05
- Hydrogen Acceptors
- 13
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 5
- Polar Surface Area
- 212.66999999999996
- Refractivity
- 113.35629999999999
- Polarizability
- 46.156913392305555
- Formal Charge
- 0
- Physiological Charge
- -2
- pKa (strongest basic)
- -3.6868267780685726
- pKa (strongest acidic)
- 2.7202195866689247
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Metabolite
- Family
- (Poly)phenol metabolites
- Class
- Flavonoid metabolites
- Sub-class
- Flavonols (parent and host metabolites)
Taxonomy of its Food Phytochemical Precursor(s)
| Food Phytochemical | Family | Class | Sub-class | |
|---|---|---|---|---|
| Quercetin | Polyphenols | Flavonoids | Flavonols | Show Food Phytochemical |
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Food Sources of its Food Phytochemical(s)
| Food Phytochemical | Food Source | Food Source Group | |||
|---|---|---|---|---|---|
| Quercetin | Acerola | Fruit, Tropical fruits | Publications | Show | |
| Quercetin | American cranberry | Fruit, Berries | Publications | Show | |
| Quercetin | Angelica | Herbs and Spices | Publications | Show | |
| Quercetin | Apple | Fruit, Pomes | Publications | Show | |
| Quercetin | Apple juice | Beverages, Non-alcoholic | Publications | Show | |
| Quercetin | Black tea | Teas and herbal teas | Publications | Show | |
| Quercetin | Blackberry | Fruit, Berries | Publications | Show | |
| Quercetin | Broccoli | Vegetables, Cabbages | Publications | Show | |
| Quercetin | Cherry tomato | Vegetables, Fruit vegetables | Publications | Show | |
| Quercetin | European cranberry | Fruit, Berries | Publications | Show | |
| Quercetin | Green tea | Teas and herbal teas | Publications | Show | |
| Quercetin | Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Quercetin | Onion | Vegetables, Onion-family | Publications | Show | |
| Quercetin | Orange juice | Beverages, Non-alcoholic | Publications | Show | |
| Quercetin | Parsnip | Vegetables, Root vegetables | Publications | Show | |
| Quercetin | Tomato | Vegetables, Fruit vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
| Food Phytochemical | Metabolite | Species | Biofluids | Origin | TMax | CMax | Urinary Excretion | Formula | Monoisotopic mass | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Quercetin | Isorhamnetin 7-O-glucuronide | in vitro (rat) | hepatocytes | host metabolism | Not Available | Not Available | Not Available | C22H20O13 | 492.090390704 | Publications |
Inter-Individual Variations in Metabolism
| Food Phytochemical | Metabolite | Effect | Value |
|---|