Quercetin 3-O-arabinoside
precursor
Showing entry for Quercetin 3-O-arabinoside
Identification
- PhytoHub ID
- PHUB000654
- Name
- Quercetin 3-O-arabinoside
- Systematic Name
- Not Available
- Synonyms
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl α-L-arabinofuranoside
- Avicularin
- Avicularoside
- Fenicularin
- Quercetin 3-O-arabinoside
- Quercetin 3-α-L-arabinofuranoside
- CAS Number
- 572-30-5
- Average Mass
- 434.353
- Monoisotopic Mass
- 434.0849114
- Chemical Formula
- C20H18O11
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- PZZRDJXEMZMZFD-IEGSVRCHSA-N
- InChI Identifier
InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
- SMILES
O[C@H]1CO[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1O
- Structure
Structure for Quercetin 3-O-arabinoside
Calculated Properties
- Solubility (ALOGPS)
- 1.38e+00 g/l
- LogS (ALOGPS)
- -2.50
- LogP (ALOGPS)
- 0.70
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 3
- Polar Surface Area
- 186.37
- Refractivity
- 103.31299999999997
- Polarizability
- 40.56235987088022
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -3.526598553289411
- pKa (strongest acidic)
- 6.372406805937166
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- PubChem
- 5481224
- Chemistry Dashboard
- DTXSID60176795
- Phenol-Explorer
- 298
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Spectra from Online Resources
| Record ID | Source | Description | View |
|---|---|---|---|
| PR100447 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR100900 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR100977 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| PR101030 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
| TY000170 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
| TY000171 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| American cranberry | Fruit, Berries | Publications | Show | |
| Apple | Fruit, Pomes | Publications | Show | |
| Cocoa | Cocoa and cocoa products | Publications | Show | |
| Cocoa bean | Cocoa and cocoa products | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available