Hyperin
precursor
Showing entry for Hyperin
Identification
- PhytoHub ID
- PHUB000660
- Name
- Hyperin
- Systematic Name
- Not Available
- Synonyms
- Hyperoside
- Quercetin 3-O-galactoside
- CAS Number
- Not Available
- Average Mass
- 464.379
- Monoisotopic Mass
- 464.095476084
- Chemical Formula
- C21H20O12
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
- InChI Key
- OVSQVDMCBVZWGM-DTGCRPNFSA-N
- InChI Identifier
InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1
- SMILES
OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.95e+00 g/l
- LogS (ALOGPS)
- -2.38
- LogP (ALOGPS)
- 0.47
- Hydrogen Acceptors
- 12
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 4
- Polar Surface Area
- 206.59999999999997
- Refractivity
- 109.27549999999997
- Polarizability
- 43.38686097735078
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -2.98109237118166
- pKa (strongest acidic)
- 6.372405531686565
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Flavonoids
- Sub-class
- Flavonols
Spectra from Online Resources
Record ID | Source | Description | View |
---|---|---|---|
FIO00150 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00151 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00152 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00153 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00154 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00155 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00156 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00157 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00158 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00159 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00160 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00161 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00162 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00163 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00164 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00165 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00166 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00167 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00168 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00169 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00195 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00196 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00197 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00198 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00199 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
FIO00200 | MassBank | LC-ESI-QTOF Spectrum - 10 eV, unspecified | View Spectra |
FIO00201 | MassBank | LC-ESI-QTOF Spectrum - 20 eV, unspecified | View Spectra |
FIO00202 | MassBank | LC-ESI-QTOF Spectrum - 30 eV, unspecified | View Spectra |
FIO00203 | MassBank | LC-ESI-QTOF Spectrum - 40 eV, unspecified | View Spectra |
FIO00204 | MassBank | LC-ESI-QTOF Spectrum - 50 eV, unspecified | View Spectra |
PR040142 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M-H]- | View Spectra |
PR040143 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M-H]- | View Spectra |
PR040144 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M-H]- | View Spectra |
PR040145 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [2M-H]- | View Spectra |
PR040146 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M+H]+ | View Spectra |
PR040147 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+H]+ | View Spectra |
PR040148 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M+Na]+ | View Spectra |
PR040173 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M-H]- | View Spectra |
PR040174 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M-H]- | View Spectra |
PR040175 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M-H]- | View Spectra |
PR040176 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [2M-H]- | View Spectra |
PR040177 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M+H]+ | View Spectra |
PR040178 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+H]+ | View Spectra |
PR040179 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+Na]+ | View Spectra |
PR040180 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M+Na]+ | View Spectra |
PR040181 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M-H]- | View Spectra |
PR040182 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M-H]- | View Spectra |
PR040183 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M-H]- | View Spectra |
PR040184 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [2M-H]- | View Spectra |
PR040185 | MassBank | LC-ESI-QTOF Spectrum - 30 V, [M+H]+ | View Spectra |
PR040186 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+H]+ | View Spectra |
PR040187 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+H-C6H10O5]+ | View Spectra |
PR040188 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+Na]+ | View Spectra |
PR100248 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100253 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100254 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100670 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100676 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100677 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100948 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR100973 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR101012 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PR101027 | MassBank | LC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecified | View Spectra |
PS043201 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS043202 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS043203 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS043204 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS043205 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
PS043206 | ReSpect | N/A Spectrum - 60, [M+H]+ | View Spectra |
PS043207 | ReSpect | N/A Spectrum - 10, [M-H]- | View Spectra |
PS043208 | ReSpect | N/A Spectrum - 20, [M-H]- | View Spectra |
PS043209 | ReSpect | N/A Spectrum - 30, [M-H]- | View Spectra |
PS043210 | ReSpect | N/A Spectrum - 40, [M-H]- | View Spectra |
PS043211 | ReSpect | N/A Spectrum - 50, [M-H]- | View Spectra |
PS043212 | ReSpect | N/A Spectrum - 60, [M-H]- | View Spectra |
PS046501 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS046502 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS046503 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
PS046504 | ReSpect | N/A Spectrum - 40, [M+H]+ | View Spectra |
PS046505 | ReSpect | N/A Spectrum - 50, [M+H]+ | View Spectra |
PS046506 | ReSpect | N/A Spectrum - 60, [M+H]+ | View Spectra |
PS046507 | ReSpect | N/A Spectrum - 10, [M-H]- | View Spectra |
PS046508 | ReSpect | N/A Spectrum - 20, [M-H]- | View Spectra |
PS046509 | ReSpect | N/A Spectrum - 30, [M-H]- | View Spectra |
PS046510 | ReSpect | N/A Spectrum - 40, [M-H]- | View Spectra |
PS046511 | ReSpect | N/A Spectrum - 50, [M-H]- | View Spectra |
PS046512 | ReSpect | N/A Spectrum - 60, [M-H]- | View Spectra |
TY000151 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
TY000168 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
TY000169 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
TY000218 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
TY000219 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
Name | Group | |||
---|---|---|---|---|
Almond | Nuts | Publications | Show | |
American cranberry | Fruit, Berries | Publications | Show | |
Apple | Fruit, Pomes | Publications | Show | |
Apple juice | Beverages, Non-alcoholic | Publications | Show | |
Black tea | Teas and herbal teas | Publications | Show | |
Blackberry | Fruit, Berries | Publications | Show | |
Green tea | Teas and herbal teas | 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